From 79b29300a6bad58a1d14034f91b7accc7a4fe98b Mon Sep 17 00:00:00 2001 From: Nicholas Malaya Date: Wed, 25 Apr 2012 13:18:25 +0000 Subject: [PATCH] [cantera]: updating autotools build system. Library building, need to fix another test. Additionally, adding hypersonic flow transport model-- need to add hypersonic thermodynamics as well. --- ChangeLog | 11274 ++++++++++++++++ Makefile.am | 9 +- NEWS | 2 +- cantera.pc.in | 22 + configure.ac | 46 +- ext/Makefile.am | 2 +- ext/cvode/Makefile.am | 33 +- ext/cvode/source/Makefile.am | 24 + ext/f2c_blas/Makefile.am | 8 +- ext/f2c_lapack/Makefile.am | 8 +- ext/f2c_libs/Makefile.am | 16 +- ext/f2c_math/Makefile.am | 10 +- src/Makefile.am | 3 +- src/base/Makefile.am | 18 +- src/converters/Makefile.am | 15 +- src/equil/Makefile.am | 32 +- src/fortran/Makefile.am | 34 + src/kinetics/Makefile.am | 17 +- src/numerics/Makefile.am | 16 +- src/oneD/Makefile.am | 13 +- src/spectra/Makefile.am | 12 +- src/thermo/Makefile.am | 36 +- src/tpx/Makefile.am | 14 +- src/transport/Makefile.am | 17 +- src/zeroD/Makefile.am | 12 +- test_problems/Makefile.am | 4 +- test_problems/PecosTransport/Makefile.am | 26 + .../PecosTransport/PecosTransport.cpp | 252 + test_problems/PecosTransport/gri30.xml | 6173 +++++++++ .../PecosTransport/output_blessed.txt | 337 + test_problems/PecosTransport/runtest | 36 + test_problems/cathermo/DH_graph_1/Makefile.am | 10 +- 32 files changed, 18267 insertions(+), 264 deletions(-) create mode 100644 ChangeLog create mode 100644 cantera.pc.in create mode 100644 ext/cvode/source/Makefile.am create mode 100644 src/fortran/Makefile.am create mode 100644 test_problems/PecosTransport/Makefile.am create mode 100644 test_problems/PecosTransport/PecosTransport.cpp create mode 100644 test_problems/PecosTransport/gri30.xml create mode 100644 test_problems/PecosTransport/output_blessed.txt create mode 100755 test_problems/PecosTransport/runtest diff --git a/ChangeLog b/ChangeLog new file mode 100644 index 000000000..4d3d8ebe7 --- /dev/null +++ b/ChangeLog @@ -0,0 +1,11274 @@ + +2011-11-10 15:09 nick + + * major overhaul of build system to use GNU autotools + * make check now supports nearly all tests + * added PECOS transport model and thermodynamics + +2008-01-07 15:02 hkmoffa + + * test_problems/Makefile.in: Added a missing test + +2008-01-07 15:00 hkmoffa + + * Cantera/src/transport/TransportFactory.cpp: Eliminated a solaris + warning + +2008-01-07 14:09 hkmoffa + + * test_problems/VCSnonideal/NaCl_equil/Makefile.in: Fixed an error + in the Makefile.in + +2008-01-07 14:05 hkmoffa + + * Cantera/cxx/src/Makefile.in: Fixed an error in the Makefile.in + +2008-01-07 13:53 hkmoffa + + * Cantera/src/equil/: ChemEquil.cpp, Makefile.in, equilibrate.cpp, + vcs_MultiPhaseEquil.cpp, vcs_TV.cpp, vcs_VolPhase.cpp, + vcs_nasa_poly.h, vcs_prob.cpp, vcs_report.cpp, + vcs_setMolesLinProg.cpp, vcs_solve.cpp, vcs_solve_TP.cpp, + vcs_species_thermo.cpp: Solaris 64 bit port modifications + +2008-01-07 13:17 hkmoffa + + * test_problems/Makefile.in: Fixed a spelling error + +2008-01-07 13:07 hkmoffa + + * tools/doc/doxyinput/: buildcygwin.txt, configuring.txt: Doxygen + update -> adding more related pages from the Cantera site + +2008-01-07 08:17 hkmoffa + + * test_problems/ChemEquil_gri_matrix/Makefile.in: Updated Makefile + to new methodology + +2008-01-07 08:10 hkmoffa + + * tools/doc/doxyinput/bindings.txt: Added bindings + +2008-01-07 08:07 hkmoffa + + * test_problems/Makefile.in: Deleted a directory that hasn't been + checked in yet + +2008-01-06 15:28 hkmoffa + + * tools/doc/doxyinput/: build.txt, numarray.txt: Added more + documentation from the Cantera site into the cvs dox version + +2008-01-06 14:38 hkmoffa + + * Cantera/src/thermo/: HMWSoln.h, WaterProps.cpp, WaterProps.h: + Doxygen update to WaterProps + +2008-01-06 12:15 hkmoffa + + * test_problems/python/README: updated the readme + +2008-01-06 11:49 hkmoffa + + * configure, configure.in: Added a test dir + +2008-01-06 11:48 hkmoffa + + * test_problems/Makefile.in: Added a test + +2008-01-06 11:30 hkmoffa + + * test_problems/ChemEquil_red1/: Makefile.in, basopt_red1.cpp: Made + the makefile.in usable from both the build and the install + directory trees. + +2008-01-06 11:29 hkmoffa + + * configure, configure.in: Added calculation of two new variables + INSTALL_LIBS_DEP and RAW_LIBS_DEP These are lists of + dependencies. The INSTALL_LIBS_DEP contains the dependency list + for LOCAL_LIBS based on the installation directory. The + RAW_LIBS_DEP contains a list of libraries without the any + absolute path name. See the Chemequil_red1 Makefile.in for an + example of their usage + +2008-01-05 06:36 dggoodwin + + * CVSROOT/avail: added Graham Goldin to avail + +2008-01-04 16:50 hkmoffa + + * Cantera/src/base/stringUtils.cpp: Added an id block + +2008-01-04 16:49 hkmoffa + + * Cantera/src/base/ctml.h: Doxygen update + +2008-01-04 16:48 hkmoffa + + * tools/doc/Cantera.cfg.in: Added a file + +2008-01-04 16:47 hkmoffa + + * Cantera/src/thermo/WaterProps.h: Doxygen update -> still working + on it + +2008-01-04 16:36 hkmoffa + + * tools/doc/Cantera.cfg.in: Added a file + +2008-01-04 16:36 hkmoffa + + * Cantera/src/thermo/phasereport.cpp: Doxygen update: commented + routines + +2008-01-04 16:22 hkmoffa + + * Cantera/src/base/utilities.h: Doxygen update. Eliminated some + warnings + +2008-01-04 15:07 hkmoffa + + * Cantera/src/equil/: vcs_MultiPhaseEquil.cpp, + vcs_MultiPhaseEquil.h, vcs_VolPhase.cpp, vcs_internal.h, + vcs_prob.cpp: took out all references to cantera/kernel and + kernel in include paths. It was getting too confusing and + counterproductive + +2008-01-04 14:16 hkmoffa + + * Makefile.in: Added - in front of some remove and clean commands. + this causes the script not to fail if there is an error executing + those commands. + +2008-01-04 13:58 hkmoffa + + * test_problems/python/Makefile.in: Added the tut4 test problem. + +2008-01-04 13:44 hkmoffa + + * test_problems/python/: Makefile.in, flame1_blessed.csv, + flame1_blessed_linux.csv, runtest: Added flame1 test in its own + directory + +2008-01-04 13:16 hkmoffa + + * test_problems/python/Makefile.in: Adding in another test problem + +2008-01-03 17:12 hkmoffa + + * test_problems/python/Makefile.in: Added tut1 python tutorial to + test suite + +2008-01-03 16:21 hkmoffa + + * Cantera/cxx/include/Cantera.h: Guarded against CANTERA_APP being + defined previously + +2008-01-03 16:19 hkmoffa + + * Cantera/src/equil/vcs_internal.h: Added support for use as an + CANTERA_APP + +2008-01-03 15:52 hkmoffa + + * win32/vc8/: cantera.sln, SetupCantera/SetupCantera.vdproj, + cti2ctml/.cvsignore, cti2ctml/cti2ctml.vcproj: ct8 update. It's + basically working now. + +2008-01-03 15:32 hkmoffa + + * win32/vc8/: cantera.sln, SetupCantera/SetupCantera.vdproj, + base_h/.cvsignore, base_h/base_h.vcproj, base_h/docopy.cmd: Copy + .h files project -> may be temporary + +2008-01-03 14:29 hkmoffa + + * Cantera/matlab/cantera/.cvsignore: Added files + +2008-01-03 13:38 hkmoffa + + * Cantera/src/equil/: Makefile.in, vcs_MultiPhaseEquil.h, + vcs_dbocls.c, vcs_dbolsm.c, vcs_dmout.c, vcs_inest.cpp, + vcs_ivout.c, vcs_linmaxc.cpp, vcs_solve.h, vcs_xerror.c: got the + Linear programming routines to work within the Cantera directory. + I had forgot to include several files. You can now turn these on + via a Makefile flag + +2008-01-03 10:54 hkmoffa + + * tools/testtools/csvdiff.cpp: Changes due to warnings from msft + vc8 + +2008-01-03 10:53 hkmoffa + + * tools/src/ck2cti.cpp: Added std:: modifier + +2008-01-03 10:52 hkmoffa + + * Cantera/clib/src/ctbdry.cpp: Changed include directory path + format to new format + +2008-01-03 10:49 hkmoffa + + * Cantera/src/numerics/IDA_Solver.h: fixed mismatch between + declaration and definition added std:: statements. + +2008-01-03 10:49 hkmoffa + + * Cantera/src/numerics/DASPK.h: Addes std:: modifiers + +2008-01-03 10:48 hkmoffa + + * Cantera/src/numerics/DAE_Solver.h: Fixed mismatch between + declaration and definition + +2008-01-03 10:47 hkmoffa + + * Cantera/src/base/utilities.h: Added pragmas + +2008-01-03 10:46 hkmoffa + + * Cantera/src/kinetics/GasKineticsWriter.h: Added some std:: + modifiers + +2008-01-03 10:45 hkmoffa + + * Cantera/src/converters/: ck2ctml.cpp, ck2ctml.h: changed include + directory path statements. + +2008-01-03 10:44 hkmoffa + + * Cantera/src/equil/vcs_linmaxc.cpp: Added a missing namespace + statement + +2008-01-03 10:44 hkmoffa + + * Cantera/src/equil/vcs_nasa_poly.cpp: added pragmas to get rid of + warnings. + +2008-01-03 10:43 hkmoffa + + * Cantera/src/equil/vcs_prob.cpp: Got rid of strcasecmp added + pragmas changed ifdefs around + +2008-01-03 10:42 hkmoffa + + * Cantera/src/equil/vcs_solve_TP.cpp: Added pragrams to get rid of + msft vc warnings. + +2008-01-03 10:41 hkmoffa + + * Cantera/src/equil/: vcs_VolPhase.cpp, vcs_MultiPhaseEquil.cpp: + Changed the ifdef blocks around + +2008-01-03 10:40 hkmoffa + + * Cantera/src/equil/vcs_species_thermo.cpp: updates due to msft vc8 + port + +2008-01-03 10:39 hkmoffa + + * win32/: README, vc7/cantera.sln, vc7/configure.vc++, + vc8/cantera.sln, vc8/cantera_no_sundials.sln, + vc8/csvdiff/.cvsignore, vc8/csvdiff/csvdiff.vcproj, + vc8/ctmatlab/.cvsignore, vc8/ctmatlab/ctmatlab.vcproj, + vc8/ctmatlab/runmlab.cmd: Incremental update to vc8 + +2008-01-03 10:36 hkmoffa + + * tools/testtools/csvdiff.cpp: Untested mods for windows + +2008-01-03 10:03 hkmoffa + + * win32/vc8/: .cvsignore, ck2cti/.cvsignore, ck2cti/ck2cti.vcproj, + clib/.cvsignore, clib/clib.vcproj, config_h/.cvsignore, + config_h/config_h.vcproj, config_h/docopy.cmd, + f2c_math/.cvsignore, f2c_math/f2c_math.vcproj, + transport/.cvsignore, transport/transport.vcproj: Incremental + commit of vc8 + +2008-01-03 09:57 hkmoffa + + * win32/vc8/: Sundials/CVODES/.cvsignore, + Sundials/CVODES/CVODES.vcproj, Sundials/NVEC_SER/.cvsignore, + Sundials/NVEC_SER/NVEC_SER.vcproj, + Sundials/SUNDIALS_SHARED/.cvsignore, + Sundials/SUNDIALS_SHARED/SUNDIALS_SHARED.vcproj, + f2c_blas/.cvsignore, f2c_blas/f2c_blas.vcproj, + numerics/.cvsignore, numerics/numerics.vcproj, tpx/.cvsignore, + tpx/tpx.vcproj, zeroD/.cvsignore, zeroD/zeroD.vcproj: Incremental + update of vc8 directory + +2008-01-03 09:40 hkmoffa + + * win32/vc8/: ctpython/.cvsignore, ctpython/ctpython.vcproj, + ctpython/runpython.cmd, equil/.cvsignore, equil/equil.vcproj, + f2c_libs/.cvsignore, f2c_libs/f2c_libs.vcproj, + kinetics/.cvsignore, kinetics/kinetics.vcproj, oneD/.cvsignore, + oneD/oneD.vcproj, spectra/.cvsignore, spectra/spectra.vcproj: + Incremental update of vc8 directory + +2008-01-03 09:30 hkmoffa + + * win32/vc8/: SetupCantera/.cvsignore, + SetupCantera/SetupCantera.vdproj, + SetupCantera/SetupCanteraLite.vdproj, converters/.cvsignore, + converters/converters.vcproj, f2c_lapack/.cvsignore, + f2c_lapack/f2c_lapack.vcproj, thermo/.cvsignore, + thermo/thermo.vcproj: Incrementally putting vc8 in + +2008-01-03 09:17 hkmoffa + + * win32/vc8/: cantera.sln, prepreconfig.vc++, base/.cvsignore, + base/base.vcproj: Starting to check in vc8 directory for vc++ + 2005 compiler + +2008-01-02 15:35 hkmoffa + + * Cantera/src/equil/: vcs_inest.cpp, vcs_setMolesLinProg.cpp: + compiler errors in an alternate ifdef block. + +2008-01-02 14:41 hkmoffa + + * Cantera/src/thermo/State.h: Added pragmas to reduce warnings. + +2008-01-02 14:39 hkmoffa + + * Cantera/src/thermo/: DebyeHuckel.cpp, HMWSoln_input.cpp: Took + strcasecmp out of code, since it's not in VC++ + +2008-01-02 10:22 hkmoffa + + * Cantera/src/base/: ct2ctml.cpp, misc.cpp, stringUtils.cpp, + xml.cpp: Added more pragma disables for removing VC++ compiler + warnings. + +2008-01-02 09:01 hkmoffa + + * Cantera/src/equil/: MultiPhaseEquil.cpp, vcs_MultiPhaseEquil.cpp: + Added WITH_ELECTROLYTES in several places. Haven't checked to see + whether the code compiles with Electrolytes off yet, however. + +2008-01-01 17:08 hkmoffa + + * win32/vc7/prepreconfig.vc++: Added a new version of this file. + +2008-01-01 17:07 hkmoffa + + * .cvsignore: Added more files. + +2008-01-01 15:57 hkmoffa + + * win32/vc7/base/: .cvsignore, base.vcproj: Starting the laborious + process of getting the ms vc .NET compile up to date + +2008-01-01 15:52 hkmoffa + + * tools/doc/doxyinput/: initthermo.txt, winbuild.txt: Added a + reference to the sourceforge windows build procedure doc. + +2008-01-01 14:48 hkmoffa + + * test_problems/: ChemEquil_ionizedGas/Makefile.in, + VCSnonideal/NaCl_equil/runtest, VCSnonideal/NaCl_equil/runtestd, + cathermo/DH_graph_1/runtest, cathermo/DH_graph_NM/runtest, + cathermo/DH_graph_Pitzer/runtest, + cathermo/DH_graph_acommon/runtest, + cathermo/DH_graph_bdotak/runtest, cathermo/HMW_dupl_test/runtest, + cathermo/HMW_graph_CpvT/runtest, cathermo/HMW_graph_GvI/runtest, + cathermo/HMW_graph_GvT/runtest, cathermo/HMW_graph_VvT/runtest, + cathermo/HMW_test_1/runtest, cathermo/HMW_test_3/runtest, + cathermo/stoichSubSSTP/runtest: Changes to shell scripts when . + isn't in the path + +2008-01-01 14:38 hkmoffa + + * test_problems/cathermo/HMW_graph_HvT/runtest: fixed error when . + isn't in path + +2008-01-01 11:36 hkmoffa + + * configure: Making sure configure is up to date with configure.in + changes. + +2008-01-01 11:32 hkmoffa + + * Cantera/user/.cvsignore: Added more ignore rules + +2008-01-01 11:31 hkmoffa + + * Cantera/cxx/src/Makefile.in: Added Makefile dep on object files. + +2008-01-01 11:31 hkmoffa + + * Cantera/clib/src/Makefile.in: Added deps + +2008-01-01 11:30 hkmoffa + + * Cantera/python/Makefile.in: Used the LOCAL_LIBS_DEP configure + variable. + +2008-01-01 11:27 hkmoffa + + * ext/f2c_blas/Makefile.in: Added dependency on makefile + +2008-01-01 11:25 hkmoffa + + * ext/: f2c_lapack/Makefile.in, f2c_math/Makefile.in, + cvode/Makefile.in, f2c_libs/Makefile.in: Added dependency on + Makefile + +2008-01-01 11:25 hkmoffa + + * ext/lapack/Makefile.in: Added dependencies on Makefile. + +2008-01-01 11:24 hkmoffa + + * ext/tpx/: CarbonDioxide.cpp, Makefile.in, RedlichKwong.cpp, + Sub.cpp: Took out unused variables. + +2008-01-01 11:21 hkmoffa + + * ext/math/Makefile.in: Added more dependencies. + +2008-01-01 11:19 hkmoffa + + * Cantera/user/Makefile.in: Updated the makefile and added + dependencies. + +2008-01-01 11:18 hkmoffa + + * Cantera/src/zeroD/Makefile.in: Added more dependencies + +2008-01-01 11:18 hkmoffa + + * Cantera/src/thermo/Makefile.in: Added more dependencies. + +2008-01-01 11:16 hkmoffa + + * Cantera/src/converters/: Makefile.in, newThermoReading.txt: Added + new dependencies. + +2008-01-01 11:14 hkmoffa + + * Cantera/src/: equil/Makefile.in, oneD/Makefile.in: Added more + dependencies. + +2008-01-01 11:13 hkmoffa + + * Cantera/src/: kinetics/Makefile.in, numerics/Makefile.in, + transport/Makefile.in: Added more dependencies + +2008-01-01 11:11 hkmoffa + + * Cantera/src/base/Makefile.in: Added more dependency checking. + Object files now depend on Makefile. + +2008-01-01 11:09 hkmoffa + + * Cantera/src/base/ct_defs.h: Doxygen addition to elim a doxygen + warning. + +2008-01-01 11:08 hkmoffa + + * ext/tpx/: .cvsignore, Makefile.in: added more dependency checks + +2008-01-01 11:06 hkmoffa + + * configure.in: Added a LOCAL_LIBS_DEP variable, that may be used + to establish library dependencies in executables for the + LOCAL_LIBS variable. + +2008-01-01 11:04 hkmoffa + + * Cantera/cxx/include/: Cantera.h, Interface.h: Fixed some + compilation errors that arose from Interface.h, due to namespace + changes. + + Added xml.h to Cantera.h + +2008-01-01 11:01 hkmoffa + + * test_problems/surfkin/: Makefile.in, surfdemo.cpp: Added + Cantera_CXX namespace + +2008-01-01 09:13 hkmoffa + + * Cantera/src/thermo/: .cvsignore, Makefile.in: Addition to the %.d + dependencies: I'm adding Makefile and %.o to the dependency + for %.d. This alleviates somes problems with .o files not being + rebuilt when they should have been. Adding in the Makefile means + that .d files are remade whenever configure is run. This isn't a + total solution for what happens when defines change. However, + it's a start. Adding in %.o captures changes in .h files that the + .cpp files depends on. + +2008-01-01 08:54 hkmoffa + + * data/inputs/.cvsignore: Added an xml file, silane.xml + +2008-01-01 08:51 hkmoffa + + * Cantera/src/oneD/Makefile.in: Fixed an error in a depends rule. + +2007-12-28 15:29 hkmoffa + + * preconfig: Added comments to the file. + +2007-12-28 15:24 hkmoffa + + * Cantera/python/Cantera/constants.py: Added an import math + command. + +2007-12-28 06:39 dggoodwin + + * Cantera/python/Cantera/: constants.py, schem.py: removed + deprecated file + +2007-12-27 18:19 hkmoffa + + * configure, configure.in: 2 changes added libctf2c to the + LCXX_END_LIBS variable when it is needed. f2c is more of a + system level variable. Changed the default PIC setting to + empty for cygwin environments. + +2007-12-27 18:16 hkmoffa + + * Cantera/src/base/ct2ctml.cpp: Changed the pypath() routine to + reflect its own documentation. If it fails to find PYTHON_CMD in + the environment, it will now return the string python, and not + throw an error. WIth this change PYTHON_CMD doesn't have to be + set in the user's environment. Instead Cantera will fall back to + using the user's default path to find the executable, python. + +2007-12-27 17:53 hkmoffa + + * test_problems/min_python/negATest/Makefile.in: Added .depends to + all target + +2007-12-27 17:32 hkmoffa + + * test_problems/VCSnonideal/NaCl_equil/: runtest, runtestd: Made + the csvdiff commands have a relative path + +2007-12-27 17:00 hkmoffa + + * Cantera/src/transport/.cvsignore: Added .d files + +2007-12-27 16:58 hkmoffa + + * Cantera/python/src/ctfunc_methods.cpp: Removed unused variables. + +2007-12-27 16:51 hkmoffa + + * Cantera/src/converters/.cvsignore: Added .d files + +2007-12-27 16:51 hkmoffa + + * Cantera/clib/src/Makefile.in: Made the depends rule like the cxx + rule. + +2007-12-27 16:43 hkmoffa + + * Cantera/src/numerics/Makefile.in: Made the depends rule like the + cxx rule. + +2007-12-27 16:38 hkmoffa + + * Cantera/cxx/src/.cvsignore: Added .d files + +2007-12-27 16:37 hkmoffa + + * Cantera/cxx/src/Makefile.in: Made depends rule like the cxx rule. + +2007-12-27 16:23 hkmoffa + + * Cantera/src/converters/Makefile.in: Made the depends rule like + the cxx rule + +2007-12-27 16:16 hkmoffa + + * Cantera/src/: numerics/Makefile.in, spectra/Makefile.in: Made the + depends rule like the cxx rule. + +2007-12-27 16:15 hkmoffa + + * Cantera/src/kinetics/Makefile.in: Made the depends rule the same + as the cxx rule. + +2007-12-27 16:10 hkmoffa + + * Cantera/src/transport/Makefile.in: Changed the depends rule to be + like the cxx rule + +2007-12-27 16:06 hkmoffa + + * Cantera/src/thermo/Makefile.in: Made depends rule like the cxx + rule. + +2007-12-27 15:58 hkmoffa + + * Cantera/src/zeroD/Makefile.in: Made depends rule like the compile + rule + +2007-12-27 15:50 hkmoffa + + * Cantera/src/oneD/.cvsignore: Added .d files + +2007-12-27 15:49 hkmoffa + + * Cantera/src/oneD/Makefile.in: Fixed depends rule to be like the + c++ rule. + +2007-12-27 15:38 hkmoffa + + * Cantera/src/base/Makefile.in: Made the depends rule take + CXX_FLAGS just as the regular compile rule does. + +2007-12-27 15:35 hkmoffa + + * ext/f2c_math/Makefile.in: Made CFLAGS take the PIC_FLAG argument, + just as CXXFLAGS does. + +2007-12-27 11:09 hkmoffa + + * Cantera/src/thermo/: Nasa9Poly1.cpp, Nasa9Poly1.h, + Nasa9PolyMultiTempRegion.cpp, Nasa9PolyMultiTempRegion.h, + SpeciesThermo.h, ThermoPhase.cpp, speciesThermoTypes.h: doxygen + update added Nasa9 connections and cleaned up warning + messages. + +2007-12-27 11:08 hkmoffa + + * tools/doc/Cantera.cfg.in: Added doxygen connection for NASA9 + polynomials + +2007-12-20 18:58 hkmoffa + + * Cantera/cxx/include/GRI30.h, Cantera/cxx/include/IdealGasMix.h, + Cantera/cxx/include/Metal.h, Cantera/cxx/include/PureFluid.h, + Cantera/cxx/include/importPhase.h, Cantera/cxx/src/Makefile.in, + Cantera/cxx/src/cxxutils.cpp, + Cantera/src/thermo/MolalityVPSSTP.cpp, + Cantera/src/thermo/MolalityVPSSTP.h, + Cantera/src/thermo/PureFluidPhase.cpp, + Cantera/src/thermo/PureFluidPhase.h, + Cantera/src/thermo/ThermoPhase.cpp, + Cantera/src/thermo/ThermoPhase.h, + Cantera/src/thermo/phasereport.cpp, + test_problems/VCSnonideal/NaCl_equil/README, + test_problems/VCSnonideal/NaCl_equil/good_dout.txt, + test_problems/VCSnonideal/NaCl_equil/good_out.txt, + test_problems/VCSnonideal/NaCl_equil/runtest: Made the report + function a virtual function within the ThermoPhase class. This + means that the function can be modified depending on the + inheritance. This allows for the printout of molalities and pH's + for liquid phases where appropriate. + + Took out a duplicate function, report(), in the Cantera + namespace. There was one in cxxutils.cpp and one in + phasereport.cpp. + +2007-12-20 16:42 hkmoffa + + * Cantera/src/thermo/ThermoPhase.h: Fixed a typo + +2007-12-20 15:47 hkmoffa + + * test_problems/: Makefile.in, VCSnonideal/.cvsignore, + VCSnonideal/Makefile.in, cathermo/stoichSubSSTP/NaCl_Solid.xml: + Committing a few more files to get vcsnonideal test problem to + work. + +2007-12-20 15:46 hkmoffa + + * test_problems/VCSnonideal/NaCl_equil/: .cvsignore, HMW_NaCl.xml, + Makefile.in, NaCl_Solid.xml, README, gas.xml, good_dout.txt, + good_out.txt, nacl_equil.cpp, runtest, runtestd, + vcs_equilibrate_blessed.csv: commited a test problem. + +2007-12-20 15:42 hkmoffa + + * configure, configure.in: Added test directories for VCSnonideal + +2007-12-20 15:29 hkmoffa + + * Cantera/src/equil/vcs_MultiPhaseEquil.cpp: Greatly reduced the + print levels. + +2007-12-20 14:07 hkmoffa + + * Cantera/src/thermo/ThermoFactory.cpp: Bug fix to the newPhase + function. + +2007-12-20 12:39 hkmoffa + + * Cantera/src/thermo/: HMWSoln.h, IdealSolidSolnPhase.h, + StoichSubstanceSSTP.cpp, StoichSubstanceSSTP.h, SurfPhase.cpp, + SurfPhase.h, ThermoFactory.h: Added a few constructor routines, + directly from file strings. + +2007-12-19 14:58 hkmoffa + + * configure, configure.in: Bug fix to make sure Cantera compiles + with and without VCSnonideal + +2007-12-19 14:55 hkmoffa + + * Cantera/src/equil/equilibrate.cpp: Bug fix to make sure Cantera + compiles without VCSnonideal + +2007-12-19 14:41 hkmoffa + + * config.h.in: Added the WITH_VCSNONIDEAL flag + +2007-12-19 14:40 hkmoffa + + * Cantera/src/thermo/: Makefile.in, ThermoFactory.cpp: Added a few + ifdefs for WITH_ options. + +2007-12-19 14:23 hkmoffa + + * Cantera/src/equil/Makefile.in: Attached Makefile to configure + options for VCSnonideal + +2007-12-19 14:22 hkmoffa + + * preconfig: Added WITH_VCSNONIDEAL preconfig line, setting to + default off. + +2007-12-19 14:21 hkmoffa + + * configure, configure.in: Adding in my output about what gets + compiled and what doesn't. VCSNONIDEAL is now an optional + compile + +2007-12-19 13:41 hkmoffa + + * preconfig: Changed WITH_ADSORBATE to be a setable variable. + +2007-12-19 13:38 hkmoffa + + * Cantera/src/equil/: .cvsignore, equilibrate.cpp: formatting + changes. + +2007-12-19 13:19 hkmoffa + + * Cantera/src/equil/: Makefile.in, MultiPhaseEquil.cpp, + MultiPhaseEquil.h, equilibrate.cpp, vcs_DoubleStarStar.cpp, + vcs_DoubleStarStar.h, vcs_Exception.cpp, vcs_Exception.h, + vcs_Gibbs.cpp, vcs_IntStarStar.cpp, vcs_IntStarStar.h, + vcs_MultiPhaseEquil.cpp, vcs_MultiPhaseEquil.h, + vcs_SpeciesProperties.cpp, vcs_SpeciesProperties.h, vcs_TP.cpp, + vcs_TV.cpp, vcs_VolPhase.cpp, vcs_VolPhase.h, vcs_dbocls.c, + vcs_dbols.c, vcs_defs.h, vcs_dvout.c, vcs_elem.cpp, + vcs_elem_rearrange.cpp, vcs_funcVtot.cpp, vcs_inest.cpp, + vcs_internal.h, vcs_linmaxc.cpp, vcs_nasa_poly.cpp, + vcs_nasa_poly.h, vcs_nondim.cpp, vcs_prep.cpp, vcs_prob.cpp, + vcs_prob.h, vcs_rearrange.cpp, vcs_report.cpp, vcs_root1d.cpp, + vcs_rxnadj.cpp, vcs_setMolesLinProg.cpp, vcs_solve.cpp, + vcs_solve.h, vcs_solve_TP.cpp, vcs_species_thermo.cpp, + vcs_species_thermo.h, vcs_timer_generic.cpp, vcs_util.cpp: Added + vcs_nonideal, another equilibrium solver that can handle nonideal + thermo multiphase systems. + +2007-12-19 09:08 hkmoffa + + * Cantera/src/thermo/: GeneralSpeciesThermo.cpp, + SpeciesThermoFactory.cpp, WaterSSTP.cpp: Bug fixes for compile + case where Adorbate is not included. + +2007-12-19 09:06 hkmoffa + + * configure.in: Added more table info on what gets compiled in. + +2007-12-19 09:03 hkmoffa + + * Cantera/src/thermo/: DebyeHuckel.cpp, IdealSolidSolnPhase.cpp, + IdealSolidSolnPhase.h, ThermoFactory.cpp, mix_defs.h: Bug fix for + instantiation of these thermo models via the ThermoFactory + approach. + +2007-12-19 09:00 hkmoffa + + * test_problems/multiGasTransport/Makefile.in: Added .depends to + the make all rule. + +2007-12-19 08:58 hkmoffa + + * test_problems/min_python/minDiamond/Makefile.in: Added .depends + to the Make all rule. + +2007-12-19 08:50 hkmoffa + + * test_problems/multiGasTransport/: multiGasTransport.cpp, + output_blessed.txt: Changed some formatting to 4 digits from 5. I + was having trouble with the last digit changing. + +2007-12-19 08:16 hkmoffa + + * Cantera/src/thermo/SimpleThermo.h: Took out a write statement + that was causing test failures. + +2007-12-19 07:58 hkmoffa + + * examples/cxx/: .cvsignore, Makefile.in: Fixed the depends rule + for this test case + +2007-12-19 07:32 hkmoffa + + * Cantera/python/ctml_writer.py: Added an id tag to the file + +2007-12-17 18:53 dggoodwin + + * Cantera/src/spectra/: LineBroadener.cpp, LineBroadener.h, + rotor.cpp: added LineBroadener + +2007-12-17 18:41 dggoodwin + + * Cantera/fortran/src/cantera_iface.f90: added cantera_iface + +2007-12-17 12:29 hkmoffa + + * test_problems/CpJump/output_blessed.txt: Rebaselined -> soln + changed in 5th digit + +2007-12-17 12:25 hkmoffa + + * test_problems/multiGasTransport/output_blessed.txt: Rebaselined + -> changed in 5th dig due to new constants + +2007-12-17 12:24 hkmoffa + + * test_problems/mixGasTransport/output_blessed.txt: Rebaselined + +2007-12-17 12:22 hkmoffa + + * test_problems/NASA9poly_test/output_blessed.txt: Rebaselined -> + roundoff error + +2007-12-17 06:22 dggoodwin + + * Cantera/src/base/ct_defs.h: updated constants to 2006 CODATA + recommendations + +2007-12-15 09:18 dggoodwin + + * Cantera/src/spectra/: Makefile.in, rotor.cpp, rotor.h: adding + support for spectroscopy + +2007-12-15 09:15 dggoodwin + + * configure, configure.in, preconfig, Cantera/cxx/Makefile.in, + Cantera/fortran/src/Makefile.in, Cantera/fortran/src/cantera.f90, + Cantera/fortran/src/cantera_funcs.f90, + Cantera/fortran/src/cantera_kinetics.f90, + Cantera/fortran/src/cantera_thermo.f90, + Cantera/fortran/src/fct.cpp, + Cantera/fortran/src/fct_interface.f90, + Cantera/python/ctml_writer.py, + Cantera/python/Cantera/constants.py, + Cantera/python/Cantera/liquidvapor.py, Cantera/src/Makefile.in, + Cantera/src/base/ct_defs.h, Cantera/src/base/misc.cpp, + Cantera/src/base/units.h, + Cantera/src/thermo/GeneralSpeciesThermo.cpp, + Cantera/src/thermo/PureFluidPhase.h, + Cantera/src/thermo/SimpleThermo.h, + Cantera/src/thermo/SpeciesThermoFactory.cpp, + Cantera/src/thermo/SpeciesThermoInterpType.h, + Cantera/src/thermo/ThermoFactory.cpp, + Cantera/src/thermo/mix_defs.h, + Cantera/src/thermo/speciesThermoTypes.h, + Cantera/src/transport/Makefile.in, + Cantera/src/transport/TransportBase.h, + Cantera/src/transport/TransportFactory.cpp, data/inputs/air.cti: + added spectroscopy support + +2007-12-04 10:10 hkmoffa + + * examples/cxx/: Makefile.in, kinetics_example1.cpp, + kinetics_example3.cpp, rxnpath_example1.cpp: Updated the Makefile + and took out ifdefs. + +2007-12-04 09:45 hkmoffa + + * test_problems/Makefile.in: Added cxx_ex test back in. This test + had been failing. It now works due to my recent checkin. The + test is important since it seems to have coverage over areas + which aren't covered by other test problems. + +2007-12-04 09:37 hkmoffa + + * Cantera/src/zeroD/Reactor.cpp: Decreased the tolerance in the + setState_UV() routine. This tolerance is needed for the accurate + calculation of Jacobians. + +2007-12-04 09:34 hkmoffa + + * Cantera/src/thermo/ThermoPhase.cpp: Fixed an error in + setState_UV() and similar routines that was occasionally causing + numerical errors in the calculation of Jacobians. If the + tolerances to these routines were set too low for calculation of + Jacobians, then the dt*=1.5 logic was causing the evaluation to + kick out of the routine with an incorrect deltaU value on the + first iteration. This meant that the numerically derived Jacobian + entry was off by a factor of 50%. + +2007-12-03 14:04 hkmoffa + + * Cantera/python/ctml_writer.py: Bug Fixes to ctml_writer.py. There + were some undefined symbols, 'eV' and 'ElectronMass' that were + causing all cti to ctml conversions processes using python to + fail. This checkin defines these symbols. The test suite now + passes. + +2007-12-03 13:46 hkmoffa + + * Cantera/src/thermo/SemiconductorPhase.cpp: Eliminated a doulbe + addition case + +2007-11-26 14:45 dggoodwin + + * configure, configure.in, preconfig, + Cantera/python/Cantera/ReactorNet.py, + Cantera/python/examples/equilibrium/multiphase_plasma.py, + Cantera/python/src/pycantera.cpp, Cantera/src/base/ct2ctml.cpp, + Cantera/src/thermo/SemiconductorPhase.cpp, + Cantera/src/thermo/SemiconductorPhase.h, + Cantera/src/thermo/mix_defs.h: added SemiconductorPhase + +2007-11-11 15:27 hkmoffa + + * test_problems/ChemEquil_gri_matrix/gri_matrix.cpp: Added a solver + variable. + +2007-11-10 08:31 dggoodwin + + * configure, configure.in, tools/templates/f90/demo.mak.in: fixes + to F90 interface + +2007-10-29 16:50 hkmoffa + + * test_problems/: CpJump/Makefile.in, + multiGasTransport/Makefile.in: Fixed a couple of errors in the + Makefiles. Special cased lapack and blas, and took out a + recursive variable defn. + +2007-10-29 16:48 hkmoffa + + * test_problems/NASA9poly_test/: Makefile.in, NASA9poly_test.cpp, + output_blessed.txt: Updated the test, by adding more output + +2007-10-29 07:01 dggoodwin + + * test_problems/NASA9poly_test/Makefile.in: fixed dependency on + libctlapack and libctblas + +2007-10-28 12:08 hkmoffa + + * ext/f2c_libs/: arith.h, signal1.h, sysdep1.h: These files are + autogenerted during the makefile process. Therefore, they don't + need to be in the cvs system. + +2007-10-26 08:38 hkmoffa + + * test_problems/: Makefile.in, CpJump/.cvsignore, + CpJump/CpJump.cpp, CpJump/Makefile.in, CpJump/README.txt, + CpJump/bad_air.cti, CpJump/bad_air.xml, + CpJump/output_blessed.txt, CpJump/runtest: Added a test CpJump + that stresses the new setState_HP() algorithm. The old undamped + newton's method fails on this problem. + +2007-10-26 08:37 hkmoffa + + * configure, configure.in: Added a test directory. + +2007-10-26 08:34 hkmoffa + + * Cantera/src/thermo/: SpeciesThermoFactory.cpp, ThermoPhase.cpp, + ThermoPhase.h: Upgraded algorithm for setState_HP() and friends. + Replaced the bare Newton's method with a root finder. This + algorithm is tolerant of step jumps in Thermo parameters at the + temperature boundaries. The algorithm also has an initial + treatment of spinodals. Basically, if we are currently liquid, we + want to stay liquid. If we are currently gas, we want to stay + gas. + +2007-10-19 10:11 hkmoffa + + * data/inputs/.cvsignore: Added generated file to the ignore list + +2007-10-19 09:59 hkmoffa + + * data/inputs/: .cvsignore, Makefile.in, mkxml.in: Changed the + makefile to use the BUILDBIN variable. The converter programs are + no longer in ../bin. + +2007-10-19 09:54 hkmoffa + + * data/inputs/mkxml: This is now a created file. + +2007-10-19 09:48 hkmoffa + + * data/inputs/air.cti: Minor formatting changes. + +2007-10-19 08:52 hkmoffa + + * tools/doc/python/.cvsignore: Added a .cvsignore file + +2007-10-19 08:50 hkmoffa + + * configure, .cvsignore, configure.in: Added mkxml to the list of + "made" files + +2007-10-12 14:36 hkmoffa + + * Cantera/src/equil/: ChemEquil.cpp, ChemEquil.h: Changes due to + more testing involving UV equil runs on a NASA9 mechanism. -> + Changed the damping strategy -> Upgraded the initial + find-temperature strategy -> changed the solution tolerance + requirements -> sometimes it was getting hung up at + the end. + +2007-10-12 14:33 hkmoffa + + * test_problems/ChemEquil_ionizedGas/: output_blessed.txt, runtest, + table_blessed.csv: Rebaselined due to ChemEquil changes. + +2007-10-11 14:17 hkmoffa + + * Cantera/src/equil/: ChemEquil.cpp, Makefile.in: Changed + tolerances due to a user problem (involving ionized gases) + failing. + +2007-10-11 14:16 hkmoffa + + * test_problems/ChemEquil_ionizedGas/: output_blessed.txt, + table_blessed.csv: Rebaselined, answer changed because of change + in alg. + +2007-10-11 09:03 hkmoffa + + * Cantera/src/equil/: BasisOptimize.cpp, ChemEquil.cpp, + ChemEquil.h, Makefile.in, MultiPhase.h: Changed the Element + potential algorithm to accept temperatures that venture out of + bounds more. There was a user issue where this cropped up, and + triggered a false convergence error. Upped the debug printouts + on this issue too. + +2007-10-11 09:01 hkmoffa + + * test_problems/: ChemEquil_ionizedGas/Makefile.in, + ChemEquil_ionizedGas/ionizedGasEquil.cpp, + ChemEquil_red1/Makefile.in, ChemEquil_red1/basopt_red1.cpp: + Updated these tests to use new names of the DEFINES + +2007-10-10 08:14 hkmoffa + + * data/inputs/: airNASA9.cti, airNASA9.inp, airNASA9.xml: Added + files for NASA9 parameterization of air up to 20000K. The + original data for these is in the thermo directory. + +2007-10-10 07:59 hkmoffa + + * data/thermo/airDataNASA9.dat: Added an example of a NASA9 data + file to the Cantera distribution + +2007-10-09 14:02 hkmoffa + + * Cantera/src/thermo/: Nasa9Poly1.cpp, + Nasa9PolyMultiTempRegion.cpp: Fixed an error in the entropy + calculation for NASA9 polynomials. + +2007-10-09 08:23 hkmoffa + + * Cantera/python/ctml_writer.py: Fixed a bug in the conversion of + files from cti to ctml format, having to do with NASA9 + polynomials. Added a comma to the NASA9 floatArray block. + +2007-10-05 19:24 hkmoffa + + * Cantera/src/thermo/GeneralSpeciesThermo.cpp: Fixed an error that + affected the calculation of transport properties for mechanisms + with all NASA9 species. The max and min temperatures weren't + being computed, which caused NaN's to appear during the transport + property data fitting procedure. + +2007-10-01 17:50 hkmoffa + + * test_problems/cathermo/: HMW_dupl_test/HMW_NaCl_sp1977_alt.xml, + HMW_graph_CpvT/HMW_NaCl_sp1977_alt.xml, + HMW_graph_GvI/HMW_NaCl.xml, + HMW_graph_GvT/HMW_NaCl_sp1977_alt.xml, + HMW_graph_HvT/HMW_NaCl_sp1977_alt.xml, + HMW_graph_VvT/HMW_NaCl_sp1977_alt.xml, + HMW_test_3/HMW_NaCl_tc.xml: Changed the xml files to be update to + date with the new PITZER_TEMP_COMPLEX1 format. + +2007-10-01 17:49 hkmoffa + + * Cantera/src/thermo/: HMWSoln.cpp, HMWSoln.h, HMWSoln_input.cpp: + Changed the PITZER_TEMP_COMPLEX1 parameterization to use 5 + coefficients for beta1 and 5 coefficients for beta2. They are now + the same as beta0 and Cphi. All xml blocks using this + parameterization must be modified accordingly. + +2007-09-30 08:58 hkmoffa + + * Cantera/src/thermo/HMWSoln.h: Fixed a typo + +2007-09-30 08:57 hkmoffa + + * Cantera/python/Cantera/.cvsignore: Added an ignore file + +2007-09-27 15:35 dggoodwin + + * apps/bvp/: AxiStagnBVP.cpp, AxiStagnBVP.h, + BoundaryValueProblem.h, stagnation.mak: initial import + +2007-09-14 09:05 hkmoffa + + * Cantera/src/thermo/: Nasa9Poly1.cpp, Nasa9Poly1.h, + Nasa9PolyMultiTempRegion.cpp, Nasa9PolyMultiTempRegion.h: Fixed a + bug in reporting parameters for Nasa9MultiTempRegion Changed the + Nasa9 reporting parameters routine to be compatible with the + multi temperature region reporting parameters. + +2007-09-14 07:19 hkmoffa + + * Cantera/python/ctml_writer.py: Missed a file in the NASA9 commit + of yesterday + +2007-09-13 08:46 hkmoffa + + * Cantera/src/converters/Makefile.in: Added a missing file to the + list of objects + +2007-09-13 08:12 hkmoffa + + * test_problems/: Makefile.in, NASA9poly_test/.cvsignore, + NASA9poly_test/Makefile.in, NASA9poly_test/NASA9poly_test.cpp, + NASA9poly_test/gasNASA9.xml, NASA9poly_test/output_blessed.txt, + NASA9poly_test/runtest, nasa9_reader/.cvsignore, + nasa9_reader/Makefile.in, nasa9_reader/runtest.in, + nasa9_reader/sample.inp, nasa9_reader/sample.xml, + nasa9_reader/sampleData.inp, nasa9_reader/sample_blessed.cti: + Added 2 new tests associated with NASA9 polynomial capability. + +2007-09-13 08:07 hkmoffa + + * configure, configure.in: Added new directories for new test + problems. + +2007-09-13 08:05 hkmoffa + + * Cantera/src/: base/xml.h, converters/CKParser.cpp, + converters/CKParser.h, converters/CKReader.cpp, + converters/CKReader.h, converters/Makefile.in, + converters/NASA9Parser.cpp, converters/Reaction.cpp, + converters/Species.cpp, converters/Species.h, + converters/ck2ct.cpp, converters/ckr_defs.h, + converters/ckr_utils.cpp, converters/thermoFunctions.cpp, + converters/writelog.cpp, converters/writelog.h, + thermo/ConstCpPoly.h, thermo/GeneralSpeciesThermo.cpp, + thermo/GeneralSpeciesThermo.h, thermo/Makefile.in, + thermo/Mu0Poly.h, thermo/Nasa9Poly1.cpp, thermo/Nasa9Poly1.h, + thermo/Nasa9PolyMultiTempRegion.cpp, + thermo/Nasa9PolyMultiTempRegion.h, thermo/NasaPoly1.h, + thermo/NasaPoly2.h, thermo/NasaThermo.h, thermo/ShomatePoly.h, + thermo/ShomateThermo.h, thermo/SimpleThermo.h, + thermo/SpeciesThermo.h, thermo/SpeciesThermoFactory.cpp, + thermo/SpeciesThermoInterpType.h, thermo/SpeciesThermoMgr.h, + thermo/speciesThermoTypes.h: This checkin adds the ability to + read NASA9 polynomial standard states, with arbitrary number of + temperature intervals, to Cantera's underlying routines. + + Cantera can now read fortran formatted NASA9 polynomials to + create cti files + + The cti files can then be translated into xml files. + + And, the xml files can now be read into constant pressure + standard state objects and used normally within the guts of + Cantera. + + Currently, the standard state just links into the + GeneralSpeciesThermo object, which means that it's calculation + speed is slow. However, atm this satisfies the initial use case + for this new capability. + + In the near future, I'll push this out to the matlab and python + interfaces. + +2007-09-12 15:10 hkmoffa + + * Cantera/clib/src/Cabinet.h: Added a config.h compiler define in, + to handle incompatibilities across platforms. + +2007-09-12 15:09 hkmoffa + + * config.h.in, configure, configure.in: Fixed linking errors on + cygwin, by special casing how to handle the + declaration/definition of static variables in templatized + classes. There is an irreconcilable difference between cygwin + and Solaris, that I handled by creating a compiler define in + config.h. + +2007-09-12 15:02 hkmoffa + + * test_problems/multiGasTransport/: multiGasTransport.cpp, + output_blessed.txt: Cutoff low values so that comparisons pass + between machines + +2007-09-12 14:40 hkmoffa + + * test_problems/mixGasTransport/mixGasTransport.cpp: Fixed a + parenthesis misplacement. + +2007-09-11 14:00 hkmoffa + + * Cantera/src/thermo/HMWSoln.h: Fixed a spelling mistake. + +2007-08-30 14:37 hkmoffa + + * configure, configure.in: Fixed the output from configure. It had + erroneous errors when the matlab interface option was turned on. + +2007-08-29 14:01 hkmoffa + + * configure, configure.in, preconfig: Changes to the treatment of + the PIC environmental variable due to solaris. preconfig now + sets it to null. Unless the user has set it to something + nonnull, configure then resets it to -fPIC for all platforms + except for Solaris, where it set to null. Solaris doesn't require + -fPIC. + +2007-08-29 13:52 hkmoffa + + * Cantera/clib/src/.cvsignore: Added a file + +2007-08-29 13:51 hkmoffa + + * Cantera/clib/src/: Cabinet.h, ct.cpp, ctreactor.cpp: Fixed a + Solaris compile issue. Solaris decided a declaration was + actually a definition. So, I changed the way templated static + storage is declared. It still needs to be defined once and only + once on all platforms. + +2007-08-29 13:48 hkmoffa + + * test_problems/multiGasTransport/Makefile.in: Improved the + dependencies in the file. + +2007-08-29 12:57 hkmoffa + + * Cantera/src/kinetics/: ImplicitSurfChem.cpp, solveSP.cpp, + solveSP.h: Solaris Bug fix: solaris complained about the + overload between ioflag as a parameter and as member data. So, I + changed the member data name to m_ioflag. + +2007-08-28 15:15 hkmoffa + + * Cantera/matlab/Makefile.in: Fixed another error in the make + install command (that I created). The cantera-demos directory + wasn't being populated. + +2007-08-28 11:59 hkmoffa + + * Cantera/matlab/Makefile.in: Missed installing the main ctmethods* + file. Adding it here. + +2007-08-27 09:42 hkmoffa + + * data/thermo/.cvsignore: Added some files that will not be put + into the main cantera distribution until some licensing issues + are resolved. + +2007-08-27 09:35 hkmoffa + + * Cantera/src/thermo/.cvsignore: Added tmp files to this list + +2007-08-27 09:32 hkmoffa + + * Cantera/python/examples/flames/.cvsignore: Added a .cvsignore + file for this directory. Files that get created when the python + scripts are actually run from within the directory are added to + the .cvsignore file. + +2007-08-23 14:53 hkmoffa + + * Cantera/fortran/src/.cvsignore: added a file + +2007-08-23 14:52 hkmoffa + + * configure.in: Added a directory + +2007-08-23 14:51 hkmoffa + + * test_problems/Makefile.in: Added a test + +2007-08-23 14:51 hkmoffa + + * test_problems/surfSolverTest/: .cvsignore, Makefile.in, + haca2.cti, haca2.xml, runtest, runtest2, runtest2_d3, runtest_d3, + surfaceSolver.cpp, surfaceSolver2.cpp, + surfaceSolver2_blessed.out, surfaceSolver2_blessed3.out, + surfaceSolver_blessed.out, surfaceSolver_blessed3.out: Added two + more tests that exercise the surface solver capability. + +2007-08-23 14:43 hkmoffa + + * Cantera/src/kinetics/: ImplicitSurfChem.cpp, ImplicitSurfChem.h, + InterfaceKinetics.cpp, InterfaceKinetics.h, Makefile.in, + solveSP.cpp, solveSP.h: Added a capability to solve the surface + pseudosteady state problem via a damped newton's method. It also + employs a false transient algorithm when far from the solution. + +2007-07-31 14:14 hkmoffa + + * Cantera/src/transport/: TransportFactory.cpp, TransportFactory.h: + Fixed the order of initializations so that it wouldn't produce a + warning message. Doxygen additions. + +2007-07-31 14:12 hkmoffa + + * Cantera/src/transport/TransportBase.h: Added a m_nDim field to + the base class. It seemed like the right place to put it. Though, + it's not used atm. + +2007-07-31 14:11 hkmoffa + + * Cantera/src/transport/MixTransport.h: Doxygen update - changes to + comments made pressure_ig() a const function + +2007-07-31 14:08 hkmoffa + + * test_problems/Makefile.in: Added the multiGasTransport test + +2007-07-31 14:05 hkmoffa + + * configure, configure.in: Added a test directory. + +2007-07-31 14:04 hkmoffa + + * test_problems/multiGasTransport/: .cvsignore, Makefile.in, + gri30.xml, multiGasTransport.cpp, output_blessed.txt, runtest: + Addition of basic test for multiTransport object. This just + picks an arbitrary condition, calculates all of the interfacial + properties, and dumps it to an ascii file. We want to ensure + that the answer doesn't change over time. + +2007-07-31 13:51 hkmoffa + + * configure, configure.in: Added a directory + +2007-07-31 13:50 hkmoffa + + * test_problems/Makefile.in: Added a test + +2007-07-31 13:33 hkmoffa + + * test_problems/mixGasTransport/: .cvsignore, Makefile.in, + gri30.xml, mixGasTransport.cpp, output_blessed.txt, runtest: + Added a simple test that exercises the mixture gas transport + object on an arbitrary point. It produces an answer. The blessed + file will make sure the answer doesn't change going forward. + +2007-07-31 10:28 hkmoffa + + * Cantera/src/transport/MixTransport.h: Fixed an interface error in + getSpeciesViscosities(). This seldom used interface function + needed to ensure that update_T() is called so that the + temperature is current. + +2007-07-27 15:21 hkmoffa + + * Cantera/matlab/Makefile.in: Changed the Makefile scripts so that + INSTALL doesn't need to handle copying multiple files during a + single invocation. + +2007-07-27 13:05 hkmoffa + + * Cantera/src/converters/ck2ct.h: Added a str:: to a string + parameter + +2007-07-26 20:37 dggoodwin + + * Cantera/src/transport/: MMCollisionInt.cpp, TransportFactory.cpp, + TransportFactory.h: made some log message writing optional + +2007-07-26 20:27 dggoodwin + + * configure.in: changed default for @INSTALL@ back, because it was + failing for MATLAB files + +2007-07-26 17:32 hkmoffa + + * Cantera/src/transport/TransportFactory.h: Doxygen update - no + code change + +2007-07-26 17:25 hkmoffa + + * Cantera/src/transport/: MixTransport.cpp, MixTransport.h, + MultiTransport.h, TransportBase.h: Doxygen update: no code + changes Added a cLiquidTransport for an electrolyte transport + capability under construction + +2007-07-26 17:09 hkmoffa + + * Cantera/src/transport/: MixTransport.cpp, MixTransport.h, + MultiTransport.cpp, MultiTransport.h, TransportBase.h: Doxygen + update Documented the getSpeciesFluxes interface Changed a + doublereal * grad_T parameter to const doublereal * grad_T + parameter. + +2007-07-26 14:55 hkmoffa + + * Cantera/src/: base/XML_Writer.h, transport/L_matrix.h, + transport/MMCollisionInt.h, transport/SolidTransport.h, + transport/TransportFactory.h, transport/TransportParams.h: Took + out using namespace std from a couple of .h files. + +2007-07-24 10:37 hkmoffa + + * configure, configure.in: During an out-of-the-box preconfig run, + the user will unwillingly ask for a FULL python installation, but + will inevitably fail because neither the numarray or numeric + package has been installed. Now, a check is made during the raw + preconfig run to see if the include files for the numarray + package can be found. If they can't be found and the python + installation option is set to default, then the python build + variable is set to 1, reducing python to a minimal installation. + + In most cases, the raw out-of-the-box preconfig make make + test + + steps will now work. Whereas before, there were compile errors + occurring because the numarray include files were not able to be + found. + + More information about the SUNDIALS installation is now printed + out. + + CVS + +2007-07-24 10:29 hkmoffa + + * preconfig: Changed the default SUNDIALS_HOME setting to blank. + This coincides with what is assumed in the configure.in file, and + avoids potential problems with spaces in $HOME that frequently + appear on cygwin installations. + +2007-07-24 10:24 hkmoffa + + * test_problems/min_python/negATest/runtest: Fixed path to + elements.xml + +2007-07-24 10:20 hkmoffa + + * test_problems/pureFluidTest/runtest: Fixed the path to the + default location of elements.xml + +2007-07-18 14:27 hkmoffa + + * Cantera/src/thermo/State.cpp: Fixed an error in the function + setMoleFractions_NoNorm(). The error was introduced in v. 1.2 of + this file on 5/4/07, and lead to bad values for output mass + fractions. + +2007-07-18 13:21 hkmoffa + + * test_problems/cathermo/: HMW_test_1/output_noD_blessed.txt, + HMW_test_3/output_noD_blessed.txt: Rebaselined two files, due to + textual changes in the output + +2007-07-18 12:27 hkmoffa + + * Cantera/src/thermo/: HMWSoln.cpp, HMWSoln.h: Cropping Update + -Did a better job at coming up with cropping strategy for + molalalities which are used for the calculation of the + activity coefficents. Without such a strategy, act coeffs may + become unbounded and cause the equilibrium solver to fail. + +2007-07-13 10:23 hkmoffa + + * configure, configure.in, preconfig: Changed the default INSTALL + program from whatever autoconf found using the macro + AC_PROG_INSTALL to the program config/install-sh, which was the + backup option for AC_PROG_INSTALL anyway. + + The driving reason for this was that the default /usr/bin/install + program on linux had problems when directories under + $(CANTERA_ROOT)/build weren't owned by installing user. Note, + this can happen in a collaborative environment when multiple + people have group rw on the source/build directory. + + However, in general, this should help cross-platform variability + issues, since there is less variability now. + + The user can override config/install-sh choice by setting the + environmental variable INSTALL_BIN in the preconfig script. + +2007-07-13 10:15 hkmoffa + + * Cantera/cxx/include/: Edge.h, IncompressibleSolid.h, Interface.h, + Metal.h: Fixed compilation errors on solaris. Solaris picks up + const and non-const differences between parent and child member + functions. + +2007-07-13 09:52 hkmoffa + + * Cantera/fortran/src/fct.cpp: Fixed a compile problem that + occurred on solaris + +2007-07-13 08:55 hkmoffa + + * Cantera/src/thermo/HMWSoln.cpp: Fixed compilation problems on + solaris + +2007-07-13 08:19 hkmoffa + + * Makefile.in: Fixed an install command, so that it only does one + file at a time. + +2007-07-13 07:53 hkmoffa + + * Cantera/clib/src/Makefile.in: Added a -c to the install command. + This is needed for the built-in install command. + +2007-07-12 12:52 hkmoffa + + * Makefile.in: Added a file to clean rule that frequently gets + created and not destroyed + +2007-07-12 12:44 hkmoffa + + * Cantera/fortran/src/Makefile.in: Added an all: rule. + +2007-07-12 12:40 hkmoffa + + * Makefile.in: added -c to the install line, so that the default + install-sh will do a "cp" instead of a "mv". + +2007-07-12 12:37 hkmoffa + + * Cantera/src/base/ctml.h: Eliminated a commented out line. + +2007-07-12 12:36 hkmoffa + + * Cantera/src/equil/equil.h: doxygen update added brackets to a + module. + +2007-07-12 12:34 hkmoffa + + * Cantera/src/zeroD/Makefile.in: Added a rm *.d to the clean rule. + +2007-07-12 12:33 hkmoffa + + * tools/: Makefile.in, doc/doxyinput/edemo.cpp: Added -c to the + install line, so that the default install-sh will do a "cp" + operation and not a "mv" operation. + +2007-07-12 12:28 hkmoffa + + * Cantera/cxx/Makefile.in: Added a rm .depends to the clean rule. + +2007-07-12 12:26 hkmoffa + + * Cantera/cxx/demos/Makefile.in: Added a -c argument to @INSTALL@, + so that the default config/install-sh will do a "cp" instead of a + "mv". + +2007-07-12 07:22 hkmoffa + + * Cantera/src/equil/BasisOptimize.cpp: Compilation error in an + optional #ifdef block. + +2007-07-11 18:04 hkmoffa + + * bin/install_tsc.in: Added a -c to the install command. Note, it + probably doesn't matter unless you are using the + config/install-sh version, in which case, the change alters the + command from a 'mv' to a 'cp' command. + +2007-07-11 17:58 hkmoffa + + * ext/f2c_libs/Makefile.in: Added -c command to the @INSTALL@. It + doesn't matter unless the install command is config/install-sh. + For the later, it changes mv to a cp command. + +2007-07-03 04:42 dggoodwin + + * Cantera/src/numerics/Makefile.in: added flags + +2007-07-03 04:38 dggoodwin + + * Cantera/src/thermo/: MetalPhase.h, SurfPhase.h: added missing + methods to MetalPhase, made 2 methods of SurfPhase virtual + +2007-07-02 13:54 hkmoffa + + * test_problems/ChemEquil_ionizedGas/: Makefile.in, runtest: Fixed + an error in runtest + +2007-06-26 15:28 hkmoffa + + * Cantera/src/thermo/: HMWSoln.cpp, HMWSoln.h, IdealMolalSoln.h: + Doxygen update. completed HMWSoln header information. + +2007-06-26 10:43 hkmoffa + + * Cantera/src/thermo/: HMWSoln.cpp, HMWSoln.h: Doxygen update -> + fixing documentation for functions. + +2007-06-26 10:03 hkmoffa + + * Cantera/src/thermo/: HMWSoln.h, HMWSoln_input.cpp: Doxygen Update + Worked on the header. Change of LambdaNeutral XML input + section changed the attributes to species1 and species2 to be + more in tune with the conventions in the rest of the input + file. I don't think this section is used anywhere yet + +2007-06-21 07:58 hkmoffa + + * Cantera/src/thermo/HMWSoln.h: Doxygen update -worked on the + header + +2007-06-20 14:42 hkmoffa + + * Cantera/src/thermo/HMWSoln.h: Doxygen update - worked on the + header. + +2007-06-19 07:54 hkmoffa + + * Cantera/src/thermo/HMWSoln.h: Doxygen Update -> Worked on the + header, trying to document the format of the XML input file. + +2007-06-18 09:13 hkmoffa + + * tools/doc/Cantera.cfg.in: Added HMWSoln. It's sufficiently far + along. + +2007-06-18 09:12 hkmoffa + + * Cantera/src/thermo/: HMWSoln.h, HMWSoln_input.cpp: Doxygen Update + -> Worked on the header + +2007-06-17 13:56 hkmoffa + + * Cantera/src/thermo/: HMWSoln.cpp, HMWSoln.h, HMWSoln_input.cpp: + Doxygen update - Update of Header files + +2007-06-15 16:08 hkmoffa + + * Cantera/src/kinetics/importKinetics.cpp: Fixed a divide by zero + in the function checkRxnElementBalance() + +2007-06-15 09:38 hkmoffa + + * Cantera/src/thermo/HMWSoln.h: Doxygen Update -> added more + formulas to the header + +2007-06-14 16:40 hkmoffa + + * Cantera/src/thermo/: HMWSoln.cpp, HMWSoln.h: Doxygen Update + Worked on the class header information. + +2007-06-14 08:05 hkmoffa + + * Cantera/src/thermo/: DebyeHuckel.h, HMWSoln.cpp, HMWSoln.h, + HMWSoln_input.cpp: Doxygen update -> Eliminated all of the + doxygen warnings. However, there is a long way to go in + documenting the HMWSoln header file. + +2007-06-13 11:53 hkmoffa + + * Cantera/src/thermo/: HMWSoln.cpp, HMWSoln.h, ThermoFactory.cpp, + mix_defs.h: Doxygen update -> added more member data + documentation to HMWSoln Added DebyeHuckel and IdealMolalSoln to + the ThermoFactory + +2007-06-13 07:36 hkmoffa + + * Cantera/src/thermo/: HMWSoln.cpp, HMWSoln.h: Doxygen update - + documented some member data Changed names to make it more + readable. + +2007-06-12 17:17 hkmoffa + + * Cantera/src/thermo/ThermoPhase.h: Made minTemp() and maxTemp() + const functions, to make the paradigm consistent. + +2007-06-12 17:08 hkmoffa + + * Cantera/src/thermo/: DebyeHuckel.cpp, DebyeHuckel.h, HMWSoln.cpp, + HMWSoln.h, IdealMolalSoln.cpp, IdealMolalSoln.h, + IdealSolidSolnPhase.cpp, IdealSolidSolnPhase.h, + MolalityVPSSTP.cpp, MolalityVPSSTP.h, Phase.cpp, Phase.h, + StoichSubstance.cpp, StoichSubstance.h, StoichSubstanceSSTP.cpp, + StoichSubstanceSSTP.h, ThermoPhase.cpp, ThermoPhase.h: Made + several routines const that should be const + getUnitStandardConc and in Phase::nDim and getMolecularWeight() + +2007-06-12 12:39 hkmoffa + + * Cantera/src/thermo/: HMWSoln.h, HMWSoln_input.cpp: Doxygen update + Added function documentation. Added error checking on input + +2007-06-12 12:14 hkmoffa + + * Cantera/src/thermo/: ConstDensityThermo.h, DebyeHuckel.cpp, + DebyeHuckel.h, HMWSoln.cpp, HMWSoln.h, IdealMolalSoln.cpp, + IdealMolalSoln.h, LatticePhase.h, SingleSpeciesTP.h, + StoichSubstance.cpp, StoichSubstance.h, StoichSubstanceSSTP.cpp, + StoichSubstanceSSTP.h, ThermoPhase.h: Turned the virtual + function,getParameters(), to getParameters() const + +2007-06-12 10:35 hkmoffa + + * Cantera/src/kinetics/: InterfaceKinetics.cpp, + InterfaceKinetics.h: Roughed in a new function, + solvePseudoSteadyStateProblem() + +2007-06-12 10:33 hkmoffa + + * Cantera/src/thermo/: DebyeHuckel.h, HMWSoln.cpp, HMWSoln.h, + IdealMolalSoln.h, IdealSolidSolnPhase.h, WaterSSTP.h: Made + constructPhaseFile() and constructPhaseXML() non-virtual. They + are called from the constructor, and it generally is a tricky + situation when virtual functions are called from constructors. + +2007-06-12 08:52 hkmoffa + + * Cantera/src/thermo/: DebyeHuckel.h, HMWSoln.h: Doxygen update + -> started adding doxygen docs for HMWSoln. + +2007-06-12 07:42 hkmoffa + + * Cantera/src/kinetics/: ImplicitSurfChem.cpp, ImplicitSurfChem.h: + doxygen updated - no changes to source code Added docs for some + functions. + +2007-06-12 07:20 hkmoffa + + * Cantera/src/kinetics/ReactionStoichMgr.h: doxygen update Added + docs + +2007-06-12 07:13 hkmoffa + + * Cantera/src/kinetics/Kinetics.h: Doxygen update Added docs. + Took out ingroup kinetics -> doesn't seem to be a module named + kinetics any more. + +2007-06-12 07:07 hkmoffa + + * Cantera/src/kinetics/Makefile.in: Added a RM to the depends rule. + +2007-06-11 12:01 hkmoffa + + * Cantera/src/thermo/: ThermoFactory.h, WaterPropsIAPWS.cpp, + WaterPropsIAPWS.h: Doxygen Update -> Finished removing all + warning messages. + +2007-06-11 09:23 hkmoffa + + * Cantera/src/base/utilities.h: Doxygen update documented + timesConstant and polynomial routines. + +2007-06-11 09:01 hkmoffa + + * Cantera/src/thermo/: ThermoFactory.cpp, ThermoFactory.h: doxygen + update Added documentation for undocumented functions. + +2007-06-11 08:22 hkmoffa + + * tools/doc/Cantera.cfg.in: Added the clockWC class to the doxygen + docs. + +2007-06-11 08:20 hkmoffa + + * Cantera/cxx/include/Cantera.h: Added the clockWC.h include to the + c++ interface. + +2007-06-11 08:20 hkmoffa + + * Cantera/src/base/: CMakeLists.txt, Makefile.in, clockWC.cpp, + clockWC.h: Wall Clock Timer: Added class that implements a + simple wall clock timer + +2007-06-08 08:13 hkmoffa + + * Cantera/src/base/: Array.h, misc.cpp, units.h: Doxygen update + -> eliminated some doxygen warnings. + +2007-06-08 08:01 hkmoffa + + * Cantera/src/thermo/: SimpleThermo.h, SpeciesThermoFactory.cpp, + SpeciesThermoFactory.h, SpeciesThermoMgr.h, ThermoFactory.h: + doxygen update- This contains changes to comments, to reduce + number of dox warnings. + +2007-06-05 08:17 hkmoffa + + * Cantera/src/thermo/: EdgePhase.h, IdealGasPDSS.cpp, + IdealGasPDSS.h, IdealMolalSoln.h, LatticePhase.cpp, + LatticePhase.h, LatticeSolidPhase.cpp, LatticeSolidPhase.h, + MetalPhase.h, PDSS.h, PureFluidPhase.cpp, PureFluidPhase.h, + SingleSpeciesTP.cpp, SingleSpeciesTP.h, StoichSubstanceSSTP.cpp, + StoichSubstanceSSTP.h, SurfPhase.cpp, VPStandardStateTP.h: Filled + the copy constructors, assignment operators, and duplication + functions for the remaining ThermoPhase objects. + +2007-06-04 16:09 hkmoffa + + * Cantera/src/kinetics/: Kinetics.h, importKinetics.cpp, + importKinetics.h: Made getReagents global and addPhase virtual. + +2007-06-04 16:05 hkmoffa + + * Cantera/src/kinetics/ReactionData.h: Changed the destructor to be + virtual. + +2007-06-04 16:02 hkmoffa + + * Cantera/src/kinetics/: InterfaceKinetics.cpp, + InterfaceKinetics.h: Added a routine to return the elctrochemical + beta for a reaction. Fixed an error in a debug printout routine + that tests when the BV factor may overwhelm the activation + energy, and I moved the printout to DEBUG_MODE. + +2007-06-04 11:42 hkmoffa + + * configure.in: Added a test directory. + +2007-06-04 11:41 hkmoffa + + * test_problems/: Makefile.in, cathermo/Makefile.in, + cathermo/DH_graph_NM/.cvsignore, + cathermo/DH_graph_acommon/.cvsignore, + cathermo/DH_graph_bdotak/.cvsignore, diamondSurf_dupl/.cvsignore, + diamondSurf_dupl/Makefile.in, diamondSurf_dupl/diamond.xml, + diamondSurf_dupl/output_blessed.txt, + diamondSurf_dupl/runDiamondDupl.cpp, diamondSurf_dupl/runtest: + Added a test problem for the duplication of common ThermoPhase + objects like IdealGasPhase and SurfPhase. + +2007-06-04 11:39 hkmoffa + + * Cantera/src/thermo/: DebyeHuckel.h, HMWSoln.h, IdealGasPhase.cpp, + IdealGasPhase.h, StoichSubstance.cpp, StoichSubstance.h, + SurfPhase.cpp, SurfPhase.h, ThermoPhase.h: Copy constructors, + assignment operators, and duplicators: Extended these to the + more common ThermoPhase objects. + +2007-06-01 18:07 hkmoffa + + * test_problems/ChemEquil_ionizedGas/: .cvsignore, + ionizedGasEquil.cpp, output_blessed.txt, runtest, + table_blessed.csv: Rebaselined the problem. There were minor + changes in the solution. Moved the test to a csv comparison which + can differentiate between large and small differences. + +2007-06-01 17:14 hkmoffa + + * test_problems/cathermo/HMW_dupl_test/: .cvsignore, + HMW_NaCl_sp1977_alt.xml, HMW_dupl_test.cpp, Makefile.in, + NaCl_Solid.xml, README, TemperatureTable.h, output_blessed.txt, + runtest, sortAlgorithms.cpp, sortAlgorithms.h: Added another test + problem that checks the duplMyselfAsThermoPhase capability. + +2007-06-01 17:02 hkmoffa + + * Cantera/src/base/: xml.cpp, xml.h: Wrote a valid copy constructor + and assignment operator for XML_Node, and made them public. + + It turns out the Cabinet.h routines needed these. Previously, + they were using the compiler default routines, which was a bug. + Now, they are using explicit routines. Note, these new routines + have not been checked. However, they do have the chance of being + correct. + +2007-06-01 16:44 hkmoffa + + * Cantera/src/thermo/: ConstDensityThermo.cpp, + ConstDensityThermo.h, Constituents.cpp, DebyeHuckel.cpp, + GeneralSpeciesThermo.cpp, HMWSoln.cpp, NasaThermo.h, PDSS.cpp, + PDSS.h, Phase.cpp, Phase.h, ShomateThermo.h, SimpleThermo.h, + SpeciesThermo.h, SpeciesThermoMgr.h, State.cpp, ThermoPhase.cpp, + WaterPDSS.cpp, WaterPDSS.h, WaterProps.cpp, WaterPropsIAPWS.cpp, + WaterPropsIAPWS.h, WaterPropsIAPWSphi.cpp: Bugfix checkin to get + the duplMyselfAsThermoPhase() routines working. + + Bugs include quite a few errors in the copy constructors and + assignment operator functions, which, for most of them, have been + checked against a sample problem, HMW_dupl_test, for the very + first time. + + Note, the duplMyselfAsThermoPhase() routines are now working. + +2007-06-01 16:36 hkmoffa + + * Cantera/src/base/: stringUtils.h, xml.cpp, xml.h: Changed the + copy() and copyUnion() functions to be const. Declared the + XML_Node copy constructor and assignment operators to be private + -> they don't work, so accidently invoking them is an error. Now, + a compilation error will occur. Note, the copy() routine can be + used instead to create copies of XML trees. + +2007-06-01 12:12 hkmoffa + + * Cantera/src/thermo/: ConstDensityThermo.cpp, + ConstDensityThermo.h, GeneralSpeciesThermo.cpp, + GeneralSpeciesThermo.h, MolalityVPSSTP.cpp, NasaThermo.h, + ShomateThermo.h, SimpleThermo.h, SpeciesThermo.h, + SpeciesThermoMgr.h, ThermoPhase.cpp: Added copy constructors and + assignment operators where they were missing. Working towards + getting the duplicate member functions to work. + +2007-06-01 08:31 hkmoffa + + * Cantera/src/thermo/: DebyeHuckel.cpp, DebyeHuckel.h, HMWSoln.cpp, + HMWSoln.h, IdealMolalSoln.cpp, IdealMolalSoln.h, + IdealSolidSolnPhase.cpp, IdealSolidSolnPhase.h, + MolalityVPSSTP.cpp, MolalityVPSSTP.h, State.cpp, ThermoPhase.cpp, + ThermoPhase.h, VPStandardStateTP.cpp, VPStandardStateTP.h, + WaterSSTP.cpp, WaterSSTP.h: Changed the duplMyselfAsThermoPhase + function to be a const function (trying to keep a unified view of + what are const and non-const functions within the ThermoPhase + classes) + +2007-05-31 16:51 hkmoffa + + * Cantera/src/converters/: Reaction.h, RxnSpecies.h, ck2ct.cpp, + ckr_defs.h: Fixed a UMR in Reaction.h that was causing optimized + versions of ck2cti to hang or seg fault sometimes. + + Added some exceptions that captures cases where the thermo + parameters for a molecule were not found in the database. Now, + an error exit occurs, instead of before, where misc garbage but + written to the output file. + +2007-05-29 03:38 dggoodwin + + * Cantera/src/kinetics/importKinetics.cpp: correcting + recently-introduced bug + +2007-05-24 14:09 hkmoffa + + * Cantera/src/thermo/: SurfPhase.cpp, SurfPhase.h: Added missing + partial molar functions. + +2007-05-20 15:22 hkmoffa + + * test_problems/cathermo/: DH_graph_1/DH_NaCl_dilute.xml, + DH_graph_NM/DH_NaCl_NM.xml, DH_graph_Pitzer/DH_NaCl_Pitzer.xml, + DH_graph_acommon/DH_NaCl_acommon.xml, DH_graph_acommon/runtest, + DH_graph_bdotak/DH_NaCl_bdotak.xml, + HMW_graph_CpvT/HMW_NaCl_sp1977_alt.xml, + HMW_graph_GvI/HMW_NaCl.xml, + HMW_graph_GvT/HMW_NaCl_sp1977_alt.xml, + HMW_graph_HvT/HMW_NaCl_sp1977_alt.xml, + HMW_graph_VvT/HMW_NaCl_sp1977_alt.xml, HMW_test_1/HMW_NaCl.xml, + HMW_test_3/HMW_NaCl_tc.xml: Change some input files to ensure + that charge and the element composition of E are in line with + each other. + +2007-05-20 15:21 hkmoffa + + * Cantera/src/thermo/: Constituents.cpp, SpeciesThermoFactory.cpp, + WaterPDSS.cpp, phasereport.cpp: Added a Check between the input + charge and the composition of the "E" element. At this point + there doesn't seem to be a reason to let meaning of the + definition of charge() and the elemental composition of E in each + species to diverge. + +2007-05-18 03:54 dggoodwin + + * Cantera/src/kinetics/EdgeKinetics.cpp, + Cantera/src/kinetics/EdgeKinetics.h, + Cantera/src/kinetics/InterfaceKinetics.cpp, + Cantera/src/kinetics/InterfaceKinetics.h, + Cantera/src/kinetics/Makefile.in, CMakeLists.txt, config.cmake, + Cantera/python/Cantera/Kinetics.py, + Cantera/python/src/ctkinetics_methods.cpp, + Cantera/src/thermo/CMakeLists.txt, cmake/fortran.cmake: + EdgeKinetics now derives from InterfaceKinetics, and + InterfaceKinetics has the beta parameter for electrochemistry + +2007-05-17 14:17 hkmoffa + + * Cantera/src/kinetics/StoichManager.h: doxygen change + reformated some comments. + +2007-05-17 14:16 hkmoffa + + * Cantera/src/kinetics/Kinetics.cpp: Took out the ReactionData.h + include. The kinetics class doesn't use it. + +2007-05-17 08:02 hkmoffa + + * Cantera/src/thermo/: SurfPhase.cpp, SurfPhase.h, ThermoPhase.cpp: + Added several missing thermodynamics routines to SurfPhase + object. + + Added error checking to make sure that a ThermoPhase object has + at least one species defined in it. Currently, it just won't work + if there are 0 species in the object, so we might as well throw + an error early to indicate this. + + Added error checking to the SurfPhase object to indicate when + setCoverages is called with no coverages specified. This + condition had caused NaN's. Now, it throws a CanteraError. + +2007-05-14 07:37 hkmoffa + + * tools/doc/Cantera.cfg.in: Added a dir. Added more predefines. + +2007-05-13 18:02 hkmoffa + + * Cantera/src/kinetics/: InterfaceKinetics.cpp, + InterfaceKinetics.h: Doxygen updates -> worked on documenting + functions Changed a few functions from private to protected so + that they would be available to derived classes + +2007-05-13 18:00 hkmoffa + + * Cantera/src/base/: FactoryBase.h, global.h, misc.cpp: Doxygen + update -> Eliminating warning messages. + +2007-05-12 07:42 dggoodwin + + * cmake/fortran.cmake: support for cmake + +2007-05-12 05:55 dggoodwin + + * configure, configure.in, Cantera/python/setup.py.in, + ext/f2c_libs/arith.h, tools/templates/f90/demo.mak.in: bug fixes + +2007-05-11 16:11 hkmoffa + + * Cantera/src/kinetics/: GasKinetics.h, InterfaceKinetics.cpp, + InterfaceKinetics.h: Doxygen update of some kinetics classes. + Have a ways to go before these are documented. + +2007-05-11 14:44 hkmoffa + + * Cantera/src/base/: global.h, misc.cpp: Added doxygen + documentation. still needs work to get all the new stuff covered. + +2007-05-11 13:58 dggoodwin + + * configure, configure.in, preconfig, Cantera/python/setup.py.in: + bug fixes + +2007-05-11 12:56 hkmoffa + + * tools/doc/Cantera.cfg.in: Added PREDEFINES. Apparently, the + current config.h setup doesn't get passed through doxygen's + predefines. Therefore, modules aren't being read into the doxygen + documentation. The solution is to artificially define PREDEFINES, + so that doxygen can operate correctly. + +2007-05-11 12:54 hkmoffa + + * Cantera/src/thermo/PureFluidPhase.h: Took out config.h include. + Doxygen preprocessing is at fault, and it can be fixed through + the doxygen input file. + +2007-05-11 12:29 dggoodwin + + * configure, configure.in, preconfig, Cantera/python/setup.py.in, + ext/math/Makefile.in, ext/math/printstring.c: bug fixes + +2007-05-11 10:40 hkmoffa + + * Cantera/src/equil/: MultiPhase.cpp, MultiPhase.h: Added an + IntEnergy calculation routine. + +2007-05-11 10:37 hkmoffa + + * Cantera/src/base/ctexceptions.h: Added a namespace declaration to + Assert commands, that's needed in applications. + +2007-05-11 10:34 hkmoffa + + * Cantera/src/thermo/: DebyeHuckel.cpp, DebyeHuckel.h, HMWSoln.cpp, + HMWSoln.h, IdealMolalSoln.cpp, VPStandardStateTP.cpp, + VPStandardStateTP.h: Fixed a bug in the calculation of reference + state values, for thermophase objects that derive from + VPStandardStateTP + +2007-05-11 10:31 hkmoffa + + * Cantera/src/thermo/WaterSSTP.h: Took out bad documentation + statements. + +2007-05-11 10:30 hkmoffa + + * Cantera/src/thermo/: MolalityVPSSTP.cpp, ThermoPhase.cpp, + ThermoPhase.h: Added a :chargeNeutralityNecessary() function and + boolean. If charge neutrality is necessary for the proper + specification of thermo functions, this is true. If not it's set + to false. Currently, it's true for molality based formulations, + and false otherwise. It's false for Ideal gases. + +2007-05-11 10:21 hkmoffa + + * Cantera/src/thermo/PureFluidPhase.h: Added a specific include + config.h command, because doxygen wasn't recognizing it. + +2007-05-11 10:19 hkmoffa + + * tools/doc/Cantera.cfg.in: Added additional directories so that + doxygen can find the files. + +2007-05-10 13:22 dggoodwin + + * configure, configure.in, preconfig, Cantera/cxx/src/Makefile.in, + Cantera/fortran/src/Makefile.in, Cantera/src/base/utilities.h, + Cantera/src/equil/BasisOptimize.cpp, + Cantera/src/thermo/State.cpp, ext/f2c_libs/arith.h, + tools/src/Makefile.in: minor bug fixes + +2007-05-10 11:39 dggoodwin + + * Cantera/src/base/FactoryBase.h: added FactoryBase.h + +2007-05-10 10:59 dggoodwin + + * CMakeLists.txt, config.cmake, config.h.in, config.h_cmake.in, + Cantera/CMakeLists.txt, Cantera/src/CMakeLists.txt, + Cantera/src/base/CMakeLists.txt: adding support for cmake. + +2007-05-09 20:28 dggoodwin + + * config.h.in, configure, configure.in, preconfig, + Cantera/clib/src/Makefile.in, Cantera/python/setup.py.in, + Cantera/src/base/Makefile.in, Cantera/src/base/global.h, + Cantera/src/base/misc.cpp, Cantera/src/base/units.h, + Cantera/src/equil/BasisOptimize.cpp, + Cantera/src/equil/ChemEquil.cpp, Cantera/src/equil/ChemEquil.h, + Cantera/src/equil/MultiPhase.cpp, + Cantera/src/equil/MultiPhaseEquil.cpp, + Cantera/src/equil/MultiPhaseEquil.h, + Cantera/src/equil/equilibrate.cpp, + Cantera/src/kinetics/FalloffFactory.cpp, + Cantera/src/kinetics/FalloffFactory.h, + Cantera/src/kinetics/FalloffMgr.h, + Cantera/src/kinetics/KineticsFactory.cpp, + Cantera/src/kinetics/KineticsFactory.h, + Cantera/src/kinetics/importKinetics.cpp, + Cantera/src/thermo/SpeciesThermoFactory.cpp, + Cantera/src/thermo/SpeciesThermoFactory.h, + Cantera/src/thermo/ThermoFactory.cpp, + Cantera/src/thermo/ThermoFactory.h, + Cantera/src/transport/TransportFactory.cpp, + Cantera/src/transport/TransportFactory.h, + Cantera/src/zeroD/Makefile.in, + Cantera/src/zeroD/ReactorFactory.cpp, + Cantera/src/zeroD/ReactorFactory.h, ext/f2c_libs/arith.h, + test_problems/diamondSurf/Makefile.in, + test_problems/min_python/minDiamond/Makefile.in, + test_problems/min_python/negATest/Makefile.in, + test_problems/negATest/Makefile.in, + test_problems/pureFluidTest/Makefile.in, + test_problems/silane_equil/Makefile.in, + test_problems/surfkin/Makefile.in: added thread safety option + +2007-05-06 10:16 hkmoffa + + * Cantera/: Makefile.in, src/Makefile.in: Fixed the make clean + rule. + +2007-05-06 10:15 hkmoffa + + * test_problems/: Makefile.in, ChemEquil_gri_matrix/Makefile.in, + cathermo/Makefile.in: Fixed the Make clean rule. Have to + eliminate .depends before make is called, because the rule to + 'make .depends' was being called on invocation if .depends + exists. + +2007-05-04 17:30 hkmoffa + + * Cantera/cxx/src/importPhase.cpp: forgot a file. + +2007-05-04 17:29 hkmoffa + + * Cantera/cxx/: include/importPhase.h, src/Makefile.in, + src/cxxutils.cpp: Fixed an error that occurred during linking of + applications. There were multiple definitions of + importPhase(string, string), one per application file. I moved + the definition of importPhase to libctxx.a as it had to be in an + object file, and I retained the declaration within importPhase.h. + I also added declarations for the other functions in libctxx.a + into importPhase.h, as they weren't declared anywhere in the + interface. + +2007-05-04 13:09 hkmoffa + + * Cantera/src/kinetics/Makefile.in: Added a missing .h file. + +2007-05-04 12:47 hkmoffa + + * configure.in: Changed the order Cantera libraries in the LINKER + statements that come out of autoconf. An unsatisfied external + occurred because thermo occurred before kinetics. Changed thermo + to occur after kinetics. + +2007-05-04 12:35 hkmoffa + + * Cantera/src/: base/.cvsignore, equil/.cvsignore, + kinetics/.cvsignore: Added .cvsignore files to new directories. + +2007-05-04 12:27 hkmoffa + + * Cantera/src/numerics/: .cvsignore, CVode.cpp: Fixed a compilation + error. The include files were not found. + +2007-05-04 08:52 dggoodwin + + * Cantera/cxx/include/Interface.h: minor cleanup + +2007-05-04 08:48 dggoodwin + + * Cantera/cxx/include/Edge.h, Cantera/cxx/include/GRI30.h, + Cantera/cxx/include/IncompressibleSolid.h, + Cantera/cxx/include/Interface.h, Cantera/cxx/include/Metal.h, + Cantera/cxx/include/importPhase.h, Cantera/cxx/include/thermo.h, + Cantera/src/FILES, Cantera/src/ReactionStoichMgr.cpp, + Cantera/src/kinetics/ReactionStoichMgr.cpp, + test_problems/surfkin/Interface.h: minor cleanup + +2007-05-04 08:27 dggoodwin + + * Cantera/src/: base/Makefile.in, equil/Makefile.in, + kinetics/Makefile.in, numerics/Makefile.in: added Makefiles + +2007-05-04 08:18 dggoodwin + + * Makefile.in, configure, configure.in, preconfig, + Cantera/clib/src/Makefile.in, Cantera/clib/src/Storage.cpp, + Cantera/clib/src/Storage.h, Cantera/clib/src/ct.cpp, + Cantera/clib/src/ct.h, Cantera/clib/src/ctonedim.cpp, + Cantera/clib/src/ctonedim.h, Cantera/clib/src/ctreactor.cpp, + Cantera/clib/src/ctxml.cpp, Cantera/cxx/demos/Makefile.in, + Cantera/cxx/include/Cantera.h, Cantera/cxx/include/IdealGasMix.h, + Cantera/cxx/include/Interface.h, Cantera/cxx/include/PureFluid.h, + Cantera/cxx/include/kinetics.h, Cantera/cxx/include/onedim.h, + Cantera/cxx/include/thermo.h, Cantera/cxx/include/transport.h, + Cantera/cxx/include/zerodim.h, Cantera/cxx/src/Makefile.in, + Cantera/fortran/src/Makefile.in, Cantera/fortran/src/fct.cpp, + Cantera/fortran/src/fctxml.cpp, Cantera/fortran/src/flib_defs.h, + Cantera/matlab/cantera/private/mllogger.h, + Cantera/python/Makefile.in, Cantera/python/setup.py.in, + Cantera/python/src/pycantera.cpp, Cantera/python/src/pylogger.h, + Cantera/user/Makefile.in, test_problems/Makefile.in, + test_problems/ChemEquil_gri_matrix/Makefile.in, + test_problems/ChemEquil_gri_matrix/gri_matrix.cpp, + test_problems/ChemEquil_gri_pairs/Makefile.in, + test_problems/ChemEquil_ionizedGas/Makefile.in, + test_problems/ChemEquil_red1/Makefile.in, + test_problems/cathermo/DH_graph_1/DH_graph_1.cpp, + test_problems/cathermo/DH_graph_1/Makefile.in, + test_problems/cathermo/DH_graph_NM/DH_graph_1.cpp, + test_problems/cathermo/DH_graph_NM/Makefile.in, + test_problems/cathermo/DH_graph_Pitzer/DH_graph_1.cpp, + test_problems/cathermo/DH_graph_Pitzer/Makefile.in, + test_problems/cathermo/DH_graph_acommon/DH_graph_1.cpp, + test_problems/cathermo/DH_graph_acommon/Makefile.in, + test_problems/cathermo/DH_graph_bdotak/DH_graph_1.cpp, + test_problems/cathermo/DH_graph_bdotak/Makefile.in, + test_problems/cathermo/HMW_graph_CpvT/HMW_graph_CpvT.cpp, + test_problems/cathermo/HMW_graph_CpvT/Makefile.in, + test_problems/cathermo/HMW_graph_GvI/HMW_graph_GvI.cpp, + test_problems/cathermo/HMW_graph_GvI/Makefile.in, + test_problems/cathermo/HMW_graph_GvT/HMW_graph_GvT.cpp, + test_problems/cathermo/HMW_graph_GvT/Makefile.in, + test_problems/cathermo/HMW_graph_HvT/HMW_graph_HvT.cpp, + test_problems/cathermo/HMW_graph_HvT/Makefile.in, + test_problems/cathermo/HMW_graph_VvT/HMW_graph_VvT.cpp, + test_problems/cathermo/HMW_graph_VvT/Makefile.in, + test_problems/cathermo/HMW_test_1/HMW_test_1.cpp, + test_problems/cathermo/HMW_test_1/Makefile.in, + test_problems/cathermo/HMW_test_3/HMW_test_3.cpp, + test_problems/cathermo/HMW_test_3/Makefile.in, + test_problems/cathermo/ims/IMSTester.cpp, + test_problems/cathermo/ims/Makefile.in, + test_problems/cathermo/issp/ISSPTester.cpp, + test_problems/cathermo/issp/Makefile.in, + test_problems/cathermo/stoichSubSSTP/Makefile.in, + test_problems/cathermo/stoichSubSSTP/stoichSubSSTP.cpp, + test_problems/cathermo/testIAPWS/Makefile.in, + test_problems/cathermo/testIAPWSPres/Makefile.in, + test_problems/cathermo/testIAPWSTripP/Makefile.in, + test_problems/cathermo/testWaterPDSS/Makefile.in, + test_problems/cathermo/testWaterTP/Makefile.in, + test_problems/cathermo/testWaterTP/testWaterSSTP.cpp, + test_problems/diamondSurf/Makefile.in, + test_problems/diamondSurf/runDiamond.cpp, + test_problems/fracCoeff/Makefile.in, + test_problems/fracCoeff/fracCoeff.cpp, + test_problems/min_python/minDiamond/Makefile.in, + test_problems/min_python/minDiamond/runDiamond.cpp, + test_problems/min_python/negATest/Makefile.in, + test_problems/min_python/negATest/negATest.cpp, + test_problems/negATest/Makefile.in, + test_problems/negATest/negATest.cpp, + test_problems/pureFluidTest/Makefile.in, + test_problems/pureFluidTest/testPureWater.cpp, + test_problems/silane_equil/Makefile.in, + test_problems/surfkin/Makefile.in, + test_problems/surfkin/surfdemo.cpp, tools/src/Makefile.in, + tools/src/ck2cti.cpp: reorganized source tree, changed include + files, etc. + +2007-05-04 08:15 dggoodwin + + * Cantera/src/: Array.h, XML_Writer.h, config.h, ct2ctml.cpp, + ct_defs.h, ctexceptions.h, ctml.cpp, ctml.h, global.h, logger.h, + misc.cpp, plots.cpp, plots.h, stringUtils.cpp, stringUtils.h, + units.h, utilities.h, vec_functions.h, xml.cpp, xml.h, + base/Array.h, base/XML_Writer.h, base/config.h, base/ct2ctml.cpp, + base/ct_defs.h, base/ctexceptions.h, base/ctml.cpp, base/ctml.h, + base/global.h, base/logger.h, base/misc.cpp, base/plots.cpp, + base/plots.h, base/stringUtils.cpp, base/stringUtils.h, + base/units.h, base/utilities.h, base/vec_functions.h, + base/xml.cpp, base/xml.h: moved base files + +2007-05-04 07:41 dggoodwin + + * Cantera/src/: ArrayViewer.h, BandMatrix.cpp, BandMatrix.h, + BasisOptimize.cpp, CVode.cpp, CVode.h, CVodesIntegrator.cpp, + CVodesIntegrator.h, ChemEquil.cpp, ChemEquil.h, ConstCpPoly.cpp, + ConstCpPoly.h, ConstDensityThermo.cpp, ConstDensityThermo.h, + Constituents.cpp, Constituents.h, Crystal.h, DAE_Solver.h, + DAE_solvers.cpp, DASPK.cpp, DASPK.h, DenseMatrix.cpp, + DenseMatrix.h, EdgeKinetics.cpp, EdgeKinetics.h, EdgePhase.h, + Elements.cpp, Elements.h, Enhanced3BConc.h, FILES, + FalloffFactory.cpp, FalloffFactory.h, FalloffMgr.h, Func1.cpp, + Func1.h, FuncEval.h, GRI_30_Kinetics.cpp, GRI_30_Kinetics.h, + GasKinetics.cpp, GasKinetics.h, GasKineticsWriter.cpp, + GasKineticsWriter.h, GeneralSpeciesThermo.cpp, + GeneralSpeciesThermo.h, Group.cpp, Group.h, IDA_Solver.cpp, + IDA_Solver.h, IdealGasPhase.cpp, IdealGasPhase.h, + ImplicitChem.cpp, ImplicitChem.h, ImplicitSurfChem.cpp, + ImplicitSurfChem.h, IncompressibleThermo.h, Integrator.h, + InterfaceKinetics.cpp, InterfaceKinetics.h, Kinetics.cpp, + Kinetics.h, KineticsFactory.cpp, KineticsFactory.h, + LatticePhase.cpp, LatticePhase.h, LatticeSolidPhase.cpp, + LatticeSolidPhase.h, Makefile.in, MetalPhase.h, Mu0Poly.cpp, + Mu0Poly.h, MultiPhase.cpp, MultiPhase.h, MultiPhaseEquil.cpp, + MultiPhaseEquil.h, NasaPoly1.h, NasaPoly2.h, NasaThermo.h, + ODE_integrators.cpp, Phase.cpp, Phase.h, PropertyCalculator.h, + PureFluidPhase.cpp, PureFluidPhase.h, RateCoeffMgr.h, + ReactionData.h, ReactionPath.cpp, ReactionPath.h, + ReactionStoichMgr.h, ResidEval.h, RxnRates.h, ShomatePoly.h, + ShomateThermo.h, SimpleThermo.h, SpeciesThermo.h, + SpeciesThermoFactory.cpp, SpeciesThermoFactory.h, + SpeciesThermoInterpType.h, SpeciesThermoMgr.h, State.cpp, + State.h, StoichManager.h, StoichSubstance.cpp, StoichSubstance.h, + SurfPhase.cpp, SurfPhase.h, ThermoFactory.cpp, ThermoFactory.h, + ThermoPhase.cpp, ThermoPhase.h, ThirdBodyMgr.h, ctlapack.h, + ctvector.cpp, ctvector.h, diagnostics.h, equil.h, + equilibrate.cpp, funcs.cpp, funcs.h, importCTML.cpp, + importCTML.h, lapack.h, mix_defs.h, phasereport.cpp, polyfit.h, + reaction_defs.h, sort.cpp, sort.h, speciesThermoTypes.h, + converters/Makefile.in, converters/ck2ct.cpp, oneD/Domain1D.h, + oneD/Inlet1D.h, oneD/Makefile.in, oneD/MultiJac.h, + oneD/MultiNewton.cpp, oneD/OneDim.cpp, oneD/Sim1D.h, + oneD/StFlow.cpp, oneD/StFlow.h, oneD/newton_utils.cpp, + transport/DustyGasTransport.cpp, transport/DustyGasTransport.h, + transport/L_matrix.h, transport/MMCollisionInt.cpp, + transport/MMCollisionInt.h, transport/Makefile.in, + transport/MixTransport.cpp, transport/MixTransport.h, + transport/MultiTransport.cpp, transport/MultiTransport.h, + transport/SolidTransport.cpp, transport/SolidTransport.h, + transport/TransportBase.h, transport/TransportFactory.cpp, + transport/TransportFactory.h, transport/TransportParams.h, + zeroD/ConstPressureReactor.cpp, zeroD/FlowDevice.cpp, + zeroD/FlowDevice.h, zeroD/Makefile.in, zeroD/Reactor.cpp, + zeroD/Reactor.h, zeroD/ReactorBase.h, zeroD/ReactorNet.cpp, + zeroD/ReactorNet.h, zeroD/Wall.cpp, zeroD/Wall.h, + zeroD/flowControllers.h: removed files that were added in + subdirectories + +2007-05-04 07:40 dggoodwin + + * Cantera/src/numerics/: ArrayViewer.h, BandMatrix.cpp, + BandMatrix.h, CVode.cpp, CVode.h, CVodesIntegrator.cpp, + CVodesIntegrator.h, DAE_Solver.h, DAE_solvers.cpp, DASPK.cpp, + DASPK.h, DenseMatrix.cpp, DenseMatrix.h, Func1.cpp, Func1.h, + FuncEval.h, IDA_Solver.cpp, IDA_Solver.h, Integrator.h, + ODE_integrators.cpp, ResidEval.h, ctlapack.h, funcs.cpp, funcs.h, + lapack.h, polyfit.h, sort.cpp, sort.h: oved files to numerics + subdirectory + +2007-05-04 07:27 dggoodwin + + * Cantera/src/kinetics/: EdgeKinetics.cpp, EdgeKinetics.h, + Enhanced3BConc.h, FalloffFactory.cpp, FalloffFactory.h, + FalloffMgr.h, GRI_30_Kinetics.cpp, GRI_30_Kinetics.h, + GasKinetics.cpp, GasKinetics.h, GasKineticsWriter.cpp, + GasKineticsWriter.h, Group.cpp, Group.h, ImplicitChem.cpp, + ImplicitChem.h, ImplicitSurfChem.cpp, ImplicitSurfChem.h, + InterfaceKinetics.cpp, InterfaceKinetics.h, Kinetics.cpp, + Kinetics.h, KineticsFactory.cpp, KineticsFactory.h, + RateCoeffMgr.h, ReactionData.h, ReactionPath.cpp, ReactionPath.h, + ReactionStoichMgr.h, RxnRates.h, StoichManager.h, ThirdBodyMgr.h, + importKinetics.cpp, importKinetics.h, reaction_defs.h: moved + files to kinetics subdirectory + +2007-05-04 07:12 dggoodwin + + * Cantera/src/equil/: BasisOptimize.cpp, ChemEquil.cpp, + ChemEquil.h, MultiPhase.cpp, MultiPhase.h, MultiPhaseEquil.cpp, + MultiPhaseEquil.h, PropertyCalculator.h, equil.h, + equilibrate.cpp: moved files to equil subdirectory + +2007-05-04 07:02 dggoodwin + + * Cantera/src/thermo/: ConstCpPoly.cpp, ConstCpPoly.h, + ConstDensityThermo.cpp, ConstDensityThermo.h, Constituents.cpp, + Constituents.h, Crystal.h, DebyeHuckel.cpp, EdgePhase.h, + Elements.cpp, Elements.h, GeneralSpeciesThermo.cpp, + GeneralSpeciesThermo.h, HMWSoln.cpp, HMWSoln_input.cpp, + IdealGasPDSS.cpp, IdealGasPhase.cpp, IdealGasPhase.h, + IdealMolalSoln.cpp, IdealSolidSolnPhase.h, LatticePhase.cpp, + LatticePhase.h, LatticeSolidPhase.cpp, LatticeSolidPhase.h, + Makefile.in, MetalPhase.h, Mu0Poly.cpp, Mu0Poly.h, NasaPoly1.h, + NasaPoly2.h, NasaThermo.h, PDSS.cpp, Phase.cpp, Phase.h, + PureFluidPhase.cpp, PureFluidPhase.h, ShomatePoly.h, + ShomateThermo.h, SimpleThermo.h, SpeciesThermo.h, + SpeciesThermoFactory.cpp, SpeciesThermoFactory.h, + SpeciesThermoInterpType.h, SpeciesThermoMgr.h, State.cpp, + State.h, StoichSubstance.cpp, StoichSubstance.h, + StoichSubstanceSSTP.cpp, SurfPhase.cpp, SurfPhase.h, + ThermoFactory.cpp, ThermoFactory.h, ThermoPhase.cpp, + ThermoPhase.h, WaterPDSS.cpp, WaterSSTP.cpp, mix_defs.h, + phasereport.cpp, speciesThermoTypes.h: moved files to thermo + subdirectory + +2007-04-30 11:15 dggoodwin + + * Cantera/src/: Func1.cpp, Func1.h: more on functors + +2007-04-26 16:00 dggoodwin + + * Cantera/: clib/src/ctfunc.cpp, clib/src/ctfunc.h, + python/Cantera/Func.py, python/src/ctfunc_methods.cpp, + python/src/methods.h, src/Func1.cpp, src/Func1.h: improved + functors + +2007-04-25 13:41 dggoodwin + + * Cantera/: clib/src/ctonedim.cpp, clib/src/ctonedim.h, + python/Cantera/OneD/onedim.py, python/examples/flames/flame2.py, + python/src/ctonedim_methods.cpp, python/src/methods.h, + src/ThermoFactory.cpp, src/oneD/StFlow.cpp, src/oneD/StFlow.h: + added ability to enable Soret effect in flame calculations + +2007-04-24 17:08 dggoodwin + + * ext/math/: daux.f, dpolft.f, j4save.f, polfit.f, pvalue.f, + xerprn.f: ; + +2007-04-24 17:06 dggoodwin + + * Cantera/src/oneD/Domain1D.h: added cPorousType + +2007-04-24 17:05 dggoodwin + + * Cantera/src/SpeciesThermoMgr.h: added doc + +2007-04-24 17:03 dggoodwin + + * Cantera/src/CVodesIntegrator.h: fail if no sundials + +2007-04-24 17:03 dggoodwin + + * Cantera/src/CVodesIntegrator.cpp: include config.h + +2007-04-17 14:10 hkmoffa + + * Cantera/src/thermo/Makefile.in, ext/f2c_libs/arith.h, + test_problems/Makefile.in: Fixed an error in the test suite. + Changed some files around in caThermo so that requesting the + ideal solution option but not the electrochemistry option will + now pass the test suite. + +2007-04-13 15:39 hkmoffa + + * configure, configure.in, preconfig, Cantera/clib/src/Makefile.in, + Cantera/cxx/demos/Makefile.in, Cantera/cxx/src/Makefile.in, + Cantera/src/Makefile.in, Cantera/src/converters/Makefile.in, + Cantera/src/oneD/Makefile.in, Cantera/src/thermo/Makefile.in, + Cantera/src/transport/Makefile.in, Cantera/src/zeroD/Makefile.in, + Cantera/user/Makefile.in, ext/blas/Makefile.in, + ext/cvode/Makefile.in, ext/f2c_blas/Makefile.in, + ext/f2c_lapack/Makefile.in, ext/f2c_libs/Makefile.in, + ext/f2c_libs/arith.h, ext/f2c_math/Makefile.in, + ext/f2c_recipes/Makefile.in, ext/lapack/Makefile.in, + ext/math/Makefile.in, ext/recipes/Makefile.in, + ext/tpx/Makefile.in, + test_problems/ChemEquil_ionizedGas/output_blessed.txt: Added in + the PIC autoconf variable, that already existed, into most of the + Makefiles in the code. This variable will now be used to specify + the position independent code compiler option within Cantera. + Note, this bug fix was needed for a 64 bit full python compile on + linux. + +2007-04-13 09:47 hkmoffa + + * test_problems/cxx_ex/kin2_blessed.csv: Rebaselined this file. + The title line was wrong, and csvdiff is now comparing title + lines. + +2007-04-10 16:06 hkmoffa + + * Cantera/python/: Makefile.in, setup.py.in: Reworked a few issues + in the python build script so that compilation and link errors + would be more self-evident. Now, link errors in the + _cantera.so build will register with the python layer, because a + python exception is raised. This will propagate into the Makefile + causing make to prematurely stop the build process, because one + of its commands has come back with a non-zero exit status. This + causes the "make all" command to return a non-zero exit status, + so that the entire make command comes to a halt, which is the + desired behavior. + +2007-04-10 15:19 hkmoffa + + * Cantera/clib/src/: ct.cpp, ctreactor.cpp: Fix for solaris. + Previous attempted bug fix actually didn't compile on solaris. + The solution to get it to work on both linux and solaris was to + add a declaration (not a definition) to the alternate file. + +2007-04-10 15:04 hkmoffa + + * Cantera/clib/src/: ct.cpp, ctfunc.cpp, ctreactor.cpp, ctxml.cpp: + Fixed linking error in python module that was caused by duplicate + static member storage statements on linux. + +2007-04-01 15:00 hkmoffa + + * tools/testtools/csvdiff.cpp: Changed csvdiff so that it would + care about the header information, and fail a test the headers + are different. Note, I am using this information to put the + iteration count. + +2007-03-30 16:20 hkmoffa + + * Cantera/src/BasisOptimize.cpp, Cantera/src/MultiPhase.cpp, + Cantera/src/MultiPhase.h, tools/doc/Cantera.cfg.in: doxygen + update Finished eliminating the doxygen warnings from + MultiPhase + +2007-03-29 16:54 hkmoffa + + * Cantera/src/MultiPhase.cpp, Cantera/src/MultiPhase.h, + Cantera/src/ctexceptions.h, + test_problems/diamondSurf/runDiamond.cpp: doxygen update More + work on MultiPhase. Fixed some errors in elementAbundance calc + too. Added the definitions AssertTrace(), AssertThrow(), and + AssertThrowMsg() for a debug assertion capability. Added them + to a test problem to make sure that they actually compile. + +2007-03-29 10:22 hkmoffa + + * Cantera/src/MultiPhase.cpp: Fixed an error in the element + abundance calculation. + +2007-03-28 13:33 hkmoffa + + * Cantera/src/MultiPhase.cpp, Cantera/src/MultiPhase.h, + tools/doc/Cantera.cfg.in: Added an element abundance return + capability. doxygen update Started documenting MultiPhase + +2007-03-26 14:53 hkmoffa + + * tools/testtools/: csvdiff.cpp, mdp_allo.cpp, mdp_allo.h: csvdiff + update: Some data columns may now be strings. A string + comparison is then done. + +2007-03-23 20:12 hkmoffa + + * Cantera/src/Elements.h, Cantera/src/Phase.h, Cantera/src/State.h, + tools/doc/doxyinput/Cantera.txt: doxygen update Worked on the + Phases of Matter module + +2007-03-23 08:09 hkmoffa + + * Cantera/cxx/include/equilibrium.h, + Cantera/src/GeneralSpeciesThermo.cpp, + Cantera/src/GeneralSpeciesThermo.h, + Cantera/src/IdealGasPhase.cpp, Cantera/src/IdealGasPhase.h, + Cantera/src/Kinetics.cpp, Cantera/src/Kinetics.h, + Cantera/src/Mu0Poly.cpp, Cantera/src/Mu0Poly.h, + Cantera/src/NasaPoly1.h, Cantera/src/NasaPoly2.h, + Cantera/src/NasaThermo.h, Cantera/src/Phase.cpp, + Cantera/src/Phase.h, Cantera/src/PureFluidPhase.cpp, + Cantera/src/PureFluidPhase.h, Cantera/src/ShomatePoly.h, + Cantera/src/ShomateThermo.h, Cantera/src/SimpleThermo.h, + Cantera/src/SpeciesThermo.h, + Cantera/src/SpeciesThermoFactory.cpp, + Cantera/src/SpeciesThermoFactory.h, + Cantera/src/SpeciesThermoMgr.h, Cantera/src/State.cpp, + Cantera/src/State.h, Cantera/src/SurfPhase.cpp, + Cantera/src/SurfPhase.h, Cantera/src/ThermoFactory.cpp, + Cantera/src/ThermoFactory.h, Cantera/src/ThermoPhase.cpp, + Cantera/src/ThermoPhase.h, Cantera/src/global.h, + Cantera/src/logger.h, Cantera/src/misc.cpp, Cantera/src/units.h, + Cantera/src/utilities.h, Cantera/src/thermo/DebyeHuckel.cpp, + Cantera/src/thermo/DebyeHuckel.h, + Cantera/src/thermo/IdealMolalSoln.cpp, + Cantera/src/thermo/IdealMolalSoln.h, + Cantera/src/thermo/IdealSolidSolnPhase.cpp, + Cantera/src/thermo/IdealSolidSolnPhase.h, + Cantera/src/thermo/MolalityVPSSTP.cpp, + Cantera/src/thermo/MolalityVPSSTP.h, + Cantera/src/thermo/SingleSpeciesTP.cpp, + Cantera/src/thermo/SingleSpeciesTP.h, + Cantera/src/thermo/StoichSubstanceSSTP.cpp, + Cantera/src/thermo/StoichSubstanceSSTP.h, + Cantera/src/thermo/VPStandardStateTP.cpp, + Cantera/src/thermo/VPStandardStateTP.h, + Cantera/src/thermo/WaterPropsIAPWS.cpp, + Cantera/src/thermo/WaterPropsIAPWS.h, + Cantera/src/thermo/WaterPropsIAPWSphi.cpp, + Cantera/src/thermo/WaterPropsIAPWSphi.h, + Cantera/src/thermo/WaterSSTP.cpp, Cantera/src/thermo/WaterSSTP.h, + data/inputs/.cvsignore, tools/bin/.cvsignore: Doxygen update + Finished a draft of the File Tab within Doxygen. Each file now + has a link to the relevant modules and classes. + +2007-03-21 13:58 hkmoffa + + * Cantera/src/: ConstCpPoly.cpp, ConstCpPoly.h, + ConstDensityThermo.cpp, ConstDensityThermo.h, Constituents.cpp, + Constituents.h, EdgePhase.h, Elements.cpp, Elements.h, + Kinetics.cpp, Kinetics.h, SpeciesThermoInterpType.h, ct_defs.h, + ctexceptions.h, importCTML.cpp, importCTML.h, + speciesThermoTypes.h, thermo/DebyeHuckel.cpp, + thermo/DebyeHuckel.h: Doxygen update -- Worked on the file TAB + descriptions DebyeHuckel -- made a bunch of functions public + again. They were mistakenly protected. + +2007-03-20 17:44 hkmoffa + + * Cantera/src/converters/ck2ct.cpp: Solaris 10 port - 64 bit + changed getline(s, rest) form to getline(s, rest, '\n'). This + is probably an internal solaris stl bug. + +2007-03-20 15:42 hkmoffa + + * Cantera/: clib/src/ct.cpp, clib/src/ctreactor.cpp, + fortran/src/fct.cpp, fortran/src/fctxml.cpp: Solaris 10 update + Forgot the template specialization on the static storage + declaration. Thus, previous commit wouldn't compile on linux. + This fixes the problem. + +2007-03-20 15:01 hkmoffa + + * test_problems/: cathermo/HMW_graph_GvT/Gex_standalone.cpp, + cathermo/issp/runtest, pureFluidTest/runtest: solaris 10 updates + fixed a compilation error. + +2007-03-20 15:00 hkmoffa + + * ext/: cvode/Makefile.in, f2c_blas/Makefile.in, + f2c_lapack/Makefile.in, f2c_libs/Makefile.in, + f2c_math/Makefile.in: Solaris 10 Updates: Changed CXX_FLAGS to + CFLAGS in a bunch of ext directories. + +2007-03-20 14:58 hkmoffa + + * Cantera/: clib/src/ct.cpp, clib/src/ctreactor.cpp, + fortran/src/fct.cpp, fortran/src/fctxml.cpp: Solaris 10 updates + Added declarations of static member storage for templated + classes. + +2007-03-20 14:57 hkmoffa + + * Cantera/src/: ConstCpPoly.cpp, ConstDensityThermo.cpp, Group.cpp, + LatticePhase.cpp, stringUtils.cpp: Solaris 10 update Added + various c include files. + +2007-03-20 14:56 hkmoffa + + * Cantera/src/Phase.cpp: Solaris 10 update Calling + setState_TRY() in freezeSpecies() caused one of the test problems + on solaris to fail. FreezeSpecies is called before the phase is + actually set up (i.e., the size of the species is read from the + input file). For constant density phases, then, this was causing + a problem (divide by zero). setState() must be called after the + phase is set up from the XML input file. + +2007-03-20 14:53 hkmoffa + + * Cantera/src/Makefile.in: Solaris 10 Added CXX_FLAGS to the + CXX_DEPENDS rule. + +2007-03-20 14:52 hkmoffa + + * Cantera/src/ChemEquil.cpp: Solaris 10 update Made sure + m_nComponents is never assumed to be larger than m_kk, even + before it is actually calculated. + +2007-03-20 14:51 hkmoffa + + * Cantera/src/thermo/: DebyeHuckel.cpp, HMWSoln.cpp, + HMWSoln_input.cpp, WaterPDSS.cpp, WaterProps.cpp: Solaris 10 + update Various std:: additions to stl functions and additions + of c include files. + +2007-03-20 14:49 hkmoffa + + * Cantera/src/thermo/IdealMolalSoln.cpp: Solaris 10 updaet Put a + std:: on copy. + +2007-03-20 14:48 hkmoffa + + * Cantera/src/thermo/PDSS.cpp: Solaris 10 update no need for a + local m_temp variable. + +2007-03-20 14:47 hkmoffa + + * Cantera/src/thermo/MolalityVPSSTP.cpp: solaris10 update no + need for a separate m_kk local variable. + +2007-03-20 14:46 hkmoffa + + * Cantera/src/thermo/SingleSpeciesTP.h: solaris 10 update Changed + getActivities() to be a const function. + +2007-03-20 14:45 hkmoffa + + * Cantera/src/: ThermoPhase.cpp, ThermoPhase.h: solaris10 update + Changed getActivities to be a const function, as per the + convention of the other functions in ThermoPhase. + +2007-03-20 14:44 hkmoffa + + * Cantera/src/thermo/: WaterSSTP.cpp, WaterSSTP.h: solaris10 update + Changed satPressure() to be a const function, as it should be + +2007-03-20 14:43 hkmoffa + + * Cantera/src/thermo/: IdealSolidSolnPhase.cpp, + IdealSolidSolnPhase.h: Solaris10 updates Changed some + definitions to conform to const/nonconst conventions. + +2007-03-20 14:28 hkmoffa + + * configure, configure.in: Added a missing test directory + +2007-03-20 14:27 hkmoffa + + * tools/testtools/Makefile.in: solaris10 change Changed a @CXX@ + to a @CXX_DEPENDS@ + +2007-03-20 14:26 hkmoffa + + * tools/src/Makefile.in: solaris10 change: changed a CXX to a + CXX_DEPENDS + +2007-03-16 10:22 hkmoffa + + * Cantera/src/IdealGasPhase.h, Cantera/src/ThermoPhase.h, + Cantera/src/thermo/DebyeHuckel.h, + Cantera/src/thermo/WaterPropsIAPWS.cpp, + Cantera/src/thermo/WaterPropsIAPWS.h, + Cantera/src/thermo/WaterPropsIAPWSphi.h, + Cantera/src/thermo/WaterSSTP.cpp, Cantera/src/thermo/WaterSSTP.h, + test_problems/cathermo/testWaterTP/output_blessed.txt, + test_problems/cathermo/testWaterTP/testWaterSSTP.cpp, + test_problems/cathermo/testWaterTP/waterTPphase.xml: WaterSSTP + update Worked on doxygen documentation Changed the XML + definition Worked on making it fall in line with other + ThermoPhase objects. + +2007-03-15 16:09 hkmoffa + + * Cantera/src/thermo/WaterSSTP.cpp, Cantera/src/thermo/WaterSSTP.h, + tools/doc/Cantera.cfg.in: doxygen update Changed the name of + WaterTP to WaterSSTP in a few places. + +2007-03-15 15:56 hkmoffa + + * Cantera/src/ThermoPhase.h, + Cantera/src/thermo/IdealSolidSolnPhase.cpp, + Cantera/src/thermo/IdealSolidSolnPhase.h, + Cantera/src/thermo/Makefile.in, + Cantera/src/thermo/SingleSpeciesTP.cpp, + Cantera/src/thermo/SingleSpeciesTP.h, + Cantera/src/thermo/WaterPropsIAPWS.cpp, + Cantera/src/thermo/WaterPropsIAPWS.h, + Cantera/src/thermo/WaterPropsIAPWSphi.cpp, + Cantera/src/thermo/WaterPropsIAPWSphi.h, + Cantera/src/thermo/WaterSSTP.cpp, Cantera/src/thermo/WaterSSTP.h, + Cantera/src/thermo/WaterTP.cpp, Cantera/src/thermo/WaterTP.h, + ext/f2c_libs/arith.h, + test_problems/cathermo/testIAPWSPres/output_blessed.txt, + test_problems/cathermo/testIAPWSPres/runtest, + test_problems/cathermo/testWaterTP/.cvsignore, + test_problems/cathermo/testWaterTP/Makefile.in, + test_problems/cathermo/testWaterTP/output_blessed.txt, + test_problems/cathermo/testWaterTP/runtest, + test_problems/cathermo/testWaterTP/testWaterSSTP.cpp, + test_problems/cathermo/testWaterTP/testWaterTP.cpp: Changed the + WaterTP class to WaterSSTP, which now inherits from + SingleSpeciesTP, as it should Fixed an error in pressure + calculation within WaterSSTP. Added more function calls to the + test problem for WaterSSTP. + +2007-03-14 08:17 hkmoffa + + * configure, configure.in, Cantera/src/IdealGasPhase.h, + Cantera/src/SurfPhase.h, Cantera/src/thermo/WaterTP.cpp, + Cantera/src/thermo/WaterTP.h, test_problems/Makefile.in, + test_problems/cathermo/testWaterTP/output_blessed.txt, + test_problems/cathermo/testWaterTP/testWaterTP.cpp, + test_problems/pureFluidTest/.cvsignore, + test_problems/pureFluidTest/Makefile.in, + test_problems/pureFluidTest/liquidvapor.xml, + test_problems/pureFluidTest/output_blessed.txt, + test_problems/pureFluidTest/runtest, + test_problems/pureFluidTest/testPureWater.cpp: Test Suite Update + -> Added a pureFluidTest problem that only gets carried out if + the WIT_PURE_FLUIDS conditional compile takes place. -> + added more to testWaterTP, so that it queries the unstable + water region up to the spinodal curve. + +2007-03-13 08:55 hkmoffa + + * Cantera/src/: IdealGasPhase.h, SurfPhase.h, equil.h, + equilibrate.cpp: Doxygen update Finished documenting + IdealGasPhase Started documenting equilibrium solvers + +2007-03-12 17:58 hkmoffa + + * Cantera/src/IdealGasPhase.cpp, Cantera/src/IdealGasPhase.h, + Cantera/src/SpeciesThermo.h, Cantera/src/ThermoPhase.h, + Cantera/src/equil.h, tools/doc/Cantera.cfg.in: doxygen update + Started writing header info for IdealGasPhase + +2007-03-12 08:16 hkmoffa + + * Cantera/src/PureFluidPhase.h, Cantera/src/SpeciesThermo.h, + Cantera/src/SurfPhase.h, Cantera/src/ThermoPhase.h, + Cantera/src/thermo/WaterTP.cpp, Cantera/src/thermo/WaterTP.h, + tools/doc/Cantera.cfg.in, tools/doc/doxyinput/thermo.txt: doxygen + update Added PureFluidPhase and WaterTP + +2007-03-11 18:12 hkmoffa + + * Cantera/src/ConstDensityThermo.h, Cantera/src/Kinetics.cpp, + Cantera/src/Kinetics.h, Cantera/src/NasaThermo.h, + Cantera/src/Phase.h, Cantera/src/ThermoPhase.h, + Cantera/src/units.h, Cantera/src/thermo/DebyeHuckel.cpp, + Cantera/src/thermo/DebyeHuckel.h, + Cantera/src/thermo/SingleSpeciesTP.h, + Cantera/src/thermo/VPStandardStateTP.h, + Cantera/src/thermo/WaterPropsIAPWS.cpp, + Cantera/src/thermo/WaterPropsIAPWS.h, + Cantera/src/thermo/WaterPropsIAPWSphi.cpp, + Cantera/src/thermo/WaterPropsIAPWSphi.h, + tools/doc/Cantera.cfg.in: Fixed some errors in DebyeHuckel that + weren't covered by test suite (partial molar enthalpy and heat + capacity) Doxygen update - added private functions and added + some water property files. + +2007-03-11 12:46 hkmoffa + + * Cantera/src/ConstDensityThermo.h, Cantera/src/ThermoPhase.h, + Cantera/src/thermo/DebyeHuckel.cpp, + Cantera/src/thermo/DebyeHuckel.h, + Cantera/src/thermo/IdealMolalSoln.h, examples/cxx/Makefile.in, + test_problems/ChemEquil_gri_matrix/Makefile.in, + test_problems/ChemEquil_gri_pairs/Makefile.in, + test_problems/ChemEquil_ionizedGas/Makefile.in, + test_problems/ChemEquil_red1/Makefile.in, + test_problems/cathermo/DH_graph_1/Makefile.in, + test_problems/cathermo/DH_graph_NM/Makefile.in, + test_problems/cathermo/DH_graph_Pitzer/Makefile.in, + test_problems/cathermo/DH_graph_acommon/Makefile.in, + test_problems/cathermo/DH_graph_bdotak/Makefile.in, + test_problems/cathermo/HMW_graph_CpvT/Makefile.in, + test_problems/cathermo/HMW_graph_GvI/Makefile.in, + test_problems/cathermo/HMW_graph_GvT/Makefile.in, + test_problems/cathermo/HMW_graph_HvT/Makefile.in, + test_problems/cathermo/HMW_graph_VvT/Makefile.in, + test_problems/cathermo/HMW_test_1/Makefile.in, + test_problems/cathermo/HMW_test_3/Makefile.in, + test_problems/cathermo/ims/Makefile.in, + test_problems/cathermo/issp/Makefile.in, + test_problems/cathermo/stoichSubSSTP/Makefile.in, + test_problems/cathermo/testIAPWS/Makefile.in, + test_problems/cathermo/testIAPWSPres/Makefile.in, + test_problems/cathermo/testIAPWSTripP/Makefile.in, + test_problems/cathermo/testWaterPDSS/Makefile.in, + test_problems/cathermo/testWaterTP/Makefile.in, + test_problems/diamondSurf/Makefile.in, + test_problems/fracCoeff/Makefile.in, + test_problems/negATest/Makefile.in, + test_problems/silane_equil/Makefile.in, + test_problems/surfkin/Makefile.in, tools/doc/Cantera.cfg.in: + Doxygen update: Added info to DebyeHuckel. It's getting to be + near a documented state. test suite fix: fixed Makefile.in's. + The .depends were not being included in the Makefiles. It + should now be more stable. + +2007-03-09 13:04 hkmoffa + + * configure, configure.in, Cantera/src/Makefile.in, + Cantera/src/thermo/DebyeHuckel.cpp, + Cantera/src/thermo/DebyeHuckel.h, Cantera/src/thermo/HMWSoln.cpp, + Cantera/src/thermo/HMWSoln.h, + Cantera/src/thermo/IdealMolalSoln.cpp, + Cantera/src/thermo/IdealMolalSoln.h, + Cantera/src/thermo/Makefile.in, + Cantera/src/thermo/VPStandardStateTP.h, + test_problems/cathermo/Makefile.in, + test_problems/cathermo/DH_graph_1/.cvsignore, + test_problems/cathermo/DH_graph_1/DH_NaCl.xml, + test_problems/cathermo/DH_graph_1/DH_NaCl_NM.xml, + test_problems/cathermo/DH_graph_1/DH_NaCl_NM_blessed.csv, + test_problems/cathermo/DH_graph_1/DH_NaCl_Pitzer.xml, + test_problems/cathermo/DH_graph_1/DH_NaCl_Pitzer_blessed.csv, + test_problems/cathermo/DH_graph_1/DH_NaCl_acommon.xml, + test_problems/cathermo/DH_graph_1/DH_NaCl_acommon_blessed.csv, + test_problems/cathermo/DH_graph_1/DH_NaCl_bdotak.xml, + test_problems/cathermo/DH_graph_1/DH_NaCl_bdotak_blessed.csv, + test_problems/cathermo/DH_graph_1/DH_NaCl_blessed.csv, + test_problems/cathermo/DH_graph_1/runtest, + test_problems/cathermo/DH_graph_NM/.cvsignore, + test_problems/cathermo/DH_graph_NM/DH_NaCl_NM.xml, + test_problems/cathermo/DH_graph_NM/DH_NaCl_NM_blessed.csv, + test_problems/cathermo/DH_graph_NM/DH_graph_1.cpp, + test_problems/cathermo/DH_graph_NM/Makefile.in, + test_problems/cathermo/DH_graph_NM/runtest, + test_problems/cathermo/DH_graph_Pitzer/.cvsignore, + test_problems/cathermo/DH_graph_Pitzer/DH_NaCl_Pitzer.xml, + test_problems/cathermo/DH_graph_Pitzer/DH_NaCl_Pitzer_blessed.csv, + test_problems/cathermo/DH_graph_Pitzer/DH_graph_1.cpp, + test_problems/cathermo/DH_graph_Pitzer/Makefile.in, + test_problems/cathermo/DH_graph_Pitzer/runtest, + test_problems/cathermo/DH_graph_acommon/.cvsignore, + test_problems/cathermo/DH_graph_acommon/DH_NaCl_acommon.xml, + test_problems/cathermo/DH_graph_acommon/DH_NaCl_acommon_blessed.csv, + test_problems/cathermo/DH_graph_acommon/DH_graph_1.cpp, + test_problems/cathermo/DH_graph_acommon/Makefile.in, + test_problems/cathermo/DH_graph_acommon/runtest, + test_problems/cathermo/DH_graph_bdotak/.cvsignore, + test_problems/cathermo/DH_graph_bdotak/DH_NaCl_bdotak.xml, + test_problems/cathermo/DH_graph_bdotak/DH_NaCl_bdotak_blessed.csv, + test_problems/cathermo/DH_graph_bdotak/DH_graph_1.cpp, + test_problems/cathermo/DH_graph_bdotak/Makefile.in, + test_problems/cathermo/DH_graph_bdotak/runtest, + test_problems/cathermo/HMW_graph_GvI/runtest, + test_problems/cathermo/HMW_test_1/HMW_test_1.cpp, + test_problems/cathermo/HMW_test_1/Makefile.in, + test_problems/cathermo/HMW_test_1/runtest, + test_problems/cathermo/HMW_test_3/.cvsignore, + test_problems/cathermo/HMW_test_3/HMW_test_3.cpp, + test_problems/cathermo/HMW_test_3/output_noD_blessed.txt, + test_problems/cathermo/HMW_test_3/runtest, + test_problems/cathermo/ims/output_blessed.txt: Worked on + VPStandardStateTP some more Fixed an error in IdealMolalSoln -> + density wasn't beeing recalculated. Updated the test + problem with the fix. Worked CANTERA_DEBUG_MODE into the + Makefiles. It wasn't being used. Split the multiproblem + DH_graph_1 test into multiple directories, one per test Worked on + getting all of the test problems to have the same look, feel, and + printout. + +2007-03-08 10:23 hkmoffa + + * Cantera/src/thermo/DebyeHuckel.cpp, + Cantera/src/thermo/DebyeHuckel.h, Cantera/src/thermo/HMWSoln.cpp, + Cantera/src/thermo/HMWSoln.h, + Cantera/src/thermo/IdealMolalSoln.cpp, + Cantera/src/thermo/IdealMolalSoln.h, + Cantera/src/thermo/SingleSpeciesTP.h, + Cantera/src/thermo/VPStandardStateTP.cpp, + Cantera/src/thermo/VPStandardStateTP.h, + test_problems/cathermo/DH_graph_1/runtest: Work on + VPStandardStateTP. Started to formalize what it actually does, + putting in doxygen documentation. Tried to fix some holes in + DebyeHuckel wherein calculations may be returned without updating + the underlying water standard state. + +2007-03-06 09:14 hkmoffa + + * Cantera/src/thermo/: DebyeHuckel.cpp, DebyeHuckel.h: Doxygen + update - Worked on the equation section. + +2007-03-05 13:02 hkmoffa + + * Cantera/src/: State.h, thermo/DebyeHuckel.cpp, + thermo/DebyeHuckel.h: Doxygen update Filled in some more holes + into DebyeHuckel.h Eliminated the warning messages. Still more + work to be done. + +2007-03-05 08:36 hkmoffa + + * Cantera/src/: ThermoPhase.h, thermo/DebyeHuckel.cpp, + thermo/DebyeHuckel.h, thermo/HMWSoln.h, thermo/IdealMolalSoln.h, + thermo/VPStandardStateTP.h: Doxygen update Added more equations + in DebyeHuckel. + +2007-03-04 17:01 hkmoffa + + * Cantera/src/: IdealGasPhase.cpp, IdealGasPhase.h, ThermoPhase.h, + thermo/DebyeHuckel.cpp, thermo/DebyeHuckel.h, thermo/HMWSoln.h, + thermo/MolalityVPSSTP.cpp, thermo/MolalityVPSSTP.h: Doxygen + update - Added DebyeHuckel to doxygen. There are still + unfilled entries Started filling in how the Molality + formulation is carried out. + +2007-02-28 14:17 hkmoffa + + * Cantera/src/ThermoPhase.h, Cantera/src/thermo/DebyeHuckel.cpp, + Cantera/src/thermo/DebyeHuckel.h, + Cantera/src/thermo/StoichSubstanceSSTP.h, + tools/doc/Cantera.cfg.in: Added getStandardVolumes_ref() to + ThermoPhase.h I had started to put similar routines in in + child routines, but it deserves to be here to fill out the suite. + Added DebyeHuckel to doxygen - unfinished. took out + getSpeciesMolarVolume() from DebyeHuckel. + +2007-02-27 19:00 hkmoffa + + * Cantera/src/NasaPoly1.h, Cantera/src/StoichSubstance.h, + Cantera/src/SurfPhase.h, Cantera/src/ThermoPhase.h, + Cantera/src/importCTML.cpp, Cantera/src/importCTML.h, + Cantera/src/thermo/StoichSubstanceSSTP.cpp, + Cantera/src/thermo/StoichSubstanceSSTP.h, + test_problems/cathermo/Makefile.in, + test_problems/cathermo/stoichSubSSTP/.cvsignore, + test_problems/cathermo/stoichSubSSTP/Makefile.in, + test_problems/cathermo/stoichSubSSTP/NaCl_Solid.xml, + test_problems/cathermo/stoichSubSSTP/TemperatureTable.h, + test_problems/cathermo/stoichSubSSTP/output_blessed.txt, + test_problems/cathermo/stoichSubSSTP/runtest, + test_problems/cathermo/stoichSubSSTP/sortAlgorithms.cpp, + test_problems/cathermo/stoichSubSSTP/sortAlgorithms.h, + test_problems/cathermo/stoichSubSSTP/stoichSubSSTP.cpp, + tools/doc/Cantera.cfg.in: Doxygen update for StoichSubstanceSSTP + Added test problem for StoichSubstanceSSTP. + +2007-02-23 16:51 hkmoffa + + * Cantera/src/EdgePhase.h, Cantera/src/ThermoPhase.h, + Cantera/src/thermo/HMWSoln.cpp, Cantera/src/thermo/HMWSoln.h, + test_problems/Makefile.in, + test_problems/ChemEquil_gri_matrix/.cvsignore, + test_problems/ChemEquil_gri_pairs/.cvsignore, + test_problems/ChemEquil_ionizedGas/.cvsignore, + test_problems/ChemEquil_red1/.cvsignore, + test_problems/cathermo/HMW_test_1/.cvsignore, + test_problems/cathermo/HMW_test_1/HMW_test_1.cpp, + test_problems/cathermo/HMW_test_1/output_noD_blessed.txt, + test_problems/cathermo/HMW_test_1/runtest, + test_problems/min_python/negATest/.cvsignore, + test_problems/python/.cvsignore, tools/doc/Cantera.cfg.in: + doxygen update: Added EdgePhase Worked on test suite: + HMW_Test_1 passes now whether Debug_Mode is turned on or not. + +2007-02-23 08:52 hkmoffa + + * Cantera/src/IdealGasPhase.h, Cantera/src/SurfPhase.cpp, + Cantera/src/SurfPhase.h, Cantera/src/ThermoPhase.h, + Cantera/src/importCTML.cpp, + test_problems/diamondSurf/Makefile.in, + test_problems/diamondSurf/runDiamond.cpp, + tools/doc/Cantera.cfg.in: Doxygen update for SurfPhase Also added + a Surfphase(XML_node &) constructor. + +2007-02-20 06:37 dggoodwin + + * ext/tpx/: CFluid.cpp, CFluid.h, CGas.cpp, CLK.cpp, CLK.h, + ck_gas.cpp, ck_gas.h: removed old unused files + +2007-02-19 18:00 hkmoffa + + * Cantera/src/IdealGasPhase.cpp, Cantera/src/IdealGasPhase.h, + Cantera/src/ShomateThermo.h, Cantera/src/SpeciesThermo.h, + Cantera/src/SpeciesThermoInterpType.h, + Cantera/src/SpeciesThermoMgr.h, Cantera/src/ThermoPhase.h, + Cantera/src/global.h, test_problems/Makefile.in, + test_problems/python/Makefile.in, tools/doc/Cantera.cfg.in: + Doxygen update: Added IdealGasPhase to doxygen Filled in a + couple of missing functions in IdealGasPhase Fixed clean rule and + depends rule in test_problems + +2007-02-17 14:34 dggoodwin + + * Cantera/src/oneD/Domain1D.h: bug fix + +2007-02-17 03:35 dggoodwin + + * Cantera/src/SpeciesThermoFactory.cpp, Cantera/src/importCTML.cpp, + Cantera/src/stringUtils.cpp, win32/vc7/cantera.sln, + win32/vc7/SetupCantera/SetupCantera.vdproj, + win32/vc7/SetupCantera/SetupCanteraLite.vdproj, + win32/vc7/Sundials/CVODES/CVODES.vcproj, + win32/vc7/Sundials/NVEC_SER/NVEC_SER.vcproj, + win32/vc7/Sundials/SUNDIALS_SHARED/SUNDIALS_SHARED.vcproj, + win32/vc7/cantera/cantera.vcproj, win32/vc7/ck2cti/ck2cti.vcproj, + win32/vc7/clib/clib.vcproj, win32/vc7/config_h/config_h.vcproj, + win32/vc7/converters/converters.vcproj, + win32/vc7/ctmatlab/ctmatlab.vcproj, + win32/vc7/ctpython/ctpython.vcproj, + win32/vc7/cxxutils/cxxutils.vcproj, + win32/vc7/f2c_blas/f2c_blas.vcproj, + win32/vc7/f2c_lapack/f2c_lapack.vcproj, + win32/vc7/f2c_libs/f2c_libs.vcproj, + win32/vc7/f2c_math/f2c_math.vcproj, win32/vc7/oneD/oneD.vcproj, + win32/vc7/tpx/tpx.vcproj, win32/vc7/transport/transport.vcproj, + win32/vc7/zeroD/zeroD.vcproj: changes for Windows + +2007-02-17 02:48 dggoodwin + + * Cantera/clib/src/ctxml.cpp, Cantera/clib/src/ctxml.h, + Cantera/python/Cantera/Interface.py, + Cantera/python/Cantera/XML.py, + Cantera/python/Cantera/importFromFile.py, + Cantera/python/Cantera/solution.py, + Cantera/python/src/ctxml_methods.cpp, Cantera/src/global.h, + Cantera/src/transport/TransportFactory.cpp, ext/f2c_libs/arith.h, + tools/src/cti2ctml.cpp: added debug flag + +2007-02-16 16:10 dggoodwin + + * Cantera/src/ctml.h: added debug flag + +2007-02-16 16:09 dggoodwin + + * Cantera/src/: ct2ctml.cpp, misc.cpp: added debug flag, changed + log file to be written to tmpDir() + +2007-02-16 15:35 hkmoffa + + * Cantera/src/ConstCpPoly.cpp, Cantera/src/ConstCpPoly.h, + Cantera/src/GeneralSpeciesThermo.cpp, Cantera/src/Mu0Poly.cpp, + Cantera/src/Mu0Poly.h, Cantera/src/SpeciesThermoInterpType.h, + tools/doc/Cantera.cfg.in: Doxygen update of Mu0Poly and + ConstCpPoly + +2007-02-16 13:09 hkmoffa + + * Cantera/src/GeneralSpeciesThermo.cpp, + Cantera/src/GeneralSpeciesThermo.h, Cantera/src/NasaPoly1.h, + Cantera/src/NasaPoly2.h, Cantera/src/SpeciesThermo.h, + tools/doc/Cantera.cfg.in: Doxygen update Worked on including + GeneralSpeciesThermo + +2007-02-16 09:03 hkmoffa + + * Cantera/src/GeneralSpeciesThermo.cpp, + Cantera/src/GeneralSpeciesThermo.h, Cantera/src/NasaPoly1.h, + Cantera/src/NasaThermo.h, Cantera/src/ShomatePoly.h, + Cantera/src/ShomateThermo.h, Cantera/src/SimpleThermo.h, + Cantera/src/SpeciesThermo.h, + Cantera/src/SpeciesThermoInterpType.h, + Cantera/src/SpeciesThermoMgr.h, + test_problems/diamondSurf/runtest, tools/doc/Cantera.cfg.in: + Doxygen additions - Focused on documenting the Shomate + Polynomials. + +2007-02-14 09:43 hkmoffa + + * Cantera/src/: GeneralSpeciesThermo.cpp, GeneralSpeciesThermo.h, + NasaThermo.h, ShomateThermo.h, SimpleThermo.h, SpeciesThermo.h, + SpeciesThermoMgr.h, transport/TransportBase.h: Made the function + reportParams() in the SpeciesThermo class a const function. + Added "None" to TransportBase.h. I think I had taken it out + inadvertently from one of the other .h files. It's needed here to + specify no transport. (maybe time for using enums) + +2007-02-13 16:51 hkmoffa + + * tools/doc/Cantera.cfg.in: Added nasa polynomials. + +2007-02-13 16:51 hkmoffa + + * Cantera/src/: NasaPoly1.h, NasaPoly2.h, NasaThermo.h, + SpeciesThermo.h, SpeciesThermoInterpType.h: Doxygen update: + Added Nasa polynomial routines to doxygen docs. + +2007-02-13 07:44 hkmoffa + + * tools/doc/: Cantera.cfg.in, doxyinput/exceptions.txt: Added + files. + +2007-02-13 07:43 hkmoffa + + * Cantera/src/: GeneralSpeciesThermo.h, NasaThermo.h, + SpeciesThermo.h, SpeciesThermoFactory.cpp, + SpeciesThermoFactory.h, SpeciesThermoInterpType.h, + SpeciesThermoMgr.h, speciesThermoTypes.h: Doxygen update + Starting documenting the species standard state routines. + +2007-02-12 15:53 hkmoffa + + * Cantera/src/ct2ctml.cpp: Fixed an error on linux. The quotes + around the path names now only occur in strings that will be + processed by shells. The shells will strip the double quotes. + +2007-02-11 09:09 dggoodwin + + * Cantera/src/ct2ctml.cpp: added support for Python and temp + directory paths that contain spaces + +2007-02-11 08:27 dggoodwin + + * Cantera/src/oneD/: Domain1D.h, OneDim.cpp: added option to + specify domain bandwidths + +2007-02-10 05:54 dggoodwin + + * Cantera/fortran/src/: cantera_thermo.f90, fct_interface.f90: + updated equilibrate to use 2-character string rather than an + integer. + +2007-02-09 14:12 hkmoffa + + * tools/doc/Cantera.cfg.in: Added ThermoFactory. + +2007-02-09 14:12 hkmoffa + + * Cantera/src/: ThermoFactory.cpp, ThermoFactory.h: Doxygen update + -> Added ThermoFactory + +2007-02-09 09:49 hkmoffa + + * tools/doc/Cantera.cfg.in: Added importPhase + +2007-02-09 09:48 hkmoffa + + * Cantera/src/: KineticsFactory.cpp, ThermoPhase.h, global.h, + importCTML.cpp, importCTML.h: Added the importPhase functions to + doxygen. No code changes. + +2007-02-08 08:54 hkmoffa + + * Cantera/src/: ThermoPhase.h, thermo/VPStandardStateTP.cpp, + thermo/VPStandardStateTP.h: Doxygen update ov VPStandardStateTP. + Took out unnecessary member functions and doxygen documentation. + Changed _updateStandardStateThermo() and + _updateRefStateThermo() to virtual protected functions, which is + a necessary condition for them to be useful. + +2007-02-07 13:27 hkmoffa + + * tools/doc/Cantera.cfg.in: Added some files. + +2007-02-07 13:26 hkmoffa + + * Cantera/src/: ThermoPhase.cpp, ThermoPhase.h, importCTML.cpp, + thermo/SingleSpeciesTP.cpp, thermo/SingleSpeciesTP.h: Doxygen + update. Added SingleSpeciesTP to doxygen. I took out overloaded + functions that weren't doing anything. + +2007-02-02 11:24 dggoodwin + + * Cantera/src/: ct2ctml.cpp, misc.cpp: windows bug fixes by Bert + Bell + +2007-01-31 17:14 hkmoffa + + * Cantera/src/Constituents.cpp, Cantera/src/Constituents.h, + Cantera/src/Elements.cpp, Cantera/src/Elements.h, + Cantera/src/Kinetics.h, Cantera/src/Phase.cpp, + Cantera/src/Phase.h, Cantera/src/State.h, + Cantera/src/ThermoPhase.h, Cantera/src/ct_defs.h, + Cantera/src/global.h, Cantera/src/logger.h, Cantera/src/units.h, + Cantera/src/utilities.h, Cantera/src/thermo/IdealMolalSoln.cpp, + Cantera/src/thermo/IdealMolalSoln.h, + Cantera/src/thermo/IdealSolidSolnPhase.h, + Cantera/src/thermo/MolalityVPSSTP.cpp, + Cantera/src/thermo/MolalityVPSSTP.h, + Cantera/src/thermo/VPStandardStateTP.h, tools/doc/Cantera.cfg.in: + doxygen update. This commit doesn't change any code. Only the + doxygen related documentation has been updated. The warning + levels from doxygen have been increased, so that undocumented + parameters now cause a warning to be issued. This commit + eliminates these warning messages. + +2007-01-31 08:26 hkmoffa + + * Cantera/src/thermo/: IdealGasPDSS.cpp, IdealGasPDSS.h: Added + these files. The objects are under construction. + +2007-01-27 08:54 dggoodwin + + * Cantera/src/: BasisOptimize.cpp, misc.cpp: misc fixes + +2007-01-26 13:36 hkmoffa + + * Cantera/src/Constituents.h, Cantera/src/GasKineticsWriter.h, + Cantera/src/Kinetics.h, Cantera/src/Phase.h, Cantera/src/State.h, + Cantera/src/ThermoPhase.h, Cantera/src/ct_defs.h, + Cantera/src/ctml.cpp, Cantera/src/global.h, Cantera/src/logger.h, + Cantera/src/misc.cpp, Cantera/src/units.h, + Cantera/src/utilities.h, Cantera/src/thermo/IdealMolalSoln.cpp, + Cantera/src/thermo/IdealMolalSoln.h, + Cantera/src/thermo/IdealSolidSolnPhase.h, + Cantera/src/thermo/MolalityVPSSTP.cpp, + Cantera/src/thermo/MolalityVPSSTP.h, + Cantera/src/thermo/VPStandardStateTP.h, tools/doc/Cantera.cfg.in: + Doxygen update I upped the warning levels within doxygen and + then filled in the missing information within the currently + covered files. I also created a few more doxygen modules, aiming + towards getting 100% coverage of classes within at least one + doxygen module. + + My hope here is to start adding doxygen documentation for the + strong electrolyte thermodynamics in the near future. + +2007-01-24 16:12 hkmoffa + + * Cantera/src/Kinetics.cpp, Cantera/src/ThermoPhase.cpp, + Cantera/src/ctexceptions.h, Cantera/src/global.h, + Cantera/src/misc.cpp, Cantera/src/thermo/IdealSolidSolnPhase.cpp, + Cantera/src/thermo/MolalityVPSSTP.cpp, + Cantera/src/thermo/VPStandardStateTP.cpp, + tools/doc/doxyinput/thermo.txt: Doxygen update: I worked on + upgrading the Cantera Error Handling section and I eliminated all + of the doxygen warning messages that I encountered. + +2007-01-12 15:42 hkmoffa + + * test_problems/: ChemEquil_ionizedGas/ionizedGasEquil.cpp, + ChemEquil_ionizedGas/output_blessed.txt, + ChemEquil_red1/basopt_red1.cpp: Small changes to rebaseline + against results. + +2007-01-12 15:41 hkmoffa + + * Cantera/src/: BasisOptimize.cpp, ChemEquil.cpp, ChemEquil.h, + MultiPhase.h, ThermoPhase.cpp, ThermoPhase.h, sort.cpp, + stringUtils.cpp, stringUtils.h, thermo/DebyeHuckel.h, + thermo/HMWSoln.h, thermo/IdealMolalSoln.h, + thermo/MolalityVPSSTP.h, zeroD/.cvsignore: Changed the + estimateEP_Brinkley convergence criteria to more stringent than + the main convergence criteria in equilibrium(). This was + necessary to avoid another nonconvergence case. You don't want + equilibrate() routine's matrix algorithm to handle + ill-conditioned matrices. + + Changed the storage of element potentials. Now, dimensionless + element potentials are storred, instead of dimensional one. There + is less dependence on temperature. + + All debugging print statements now use Cantera's writelog() + utility. + +2007-01-01 16:32 hkmoffa + + * test_problems/Makefile.in, configure, configure.in: Added another + test. + +2007-01-01 16:31 hkmoffa + + * test_problems/ChemEquil_red1/: .cvsignore, Makefile.in, + basopt_red1.cpp, output_blessed.txt, red1.xml, runtest: Added a + test for nComponents < number of elements + +2007-01-01 16:30 hkmoffa + + * Cantera/src/ChemEquil.cpp: Changes to handle systems where the + number of components is less than the number of elements. + +2007-01-01 13:24 hkmoffa + + * configure, configure.in: Added a new test. + +2007-01-01 13:24 hkmoffa + + * test_problems/Makefile.in: Added a new test + +2007-01-01 13:23 hkmoffa + + * test_problems/ChemEquil_ionizedGas/: .cvsignore, Makefile.in, + air_below6000K.cti, air_below6000K.xml, ionizedGasEquil.cpp, + output_blessed.txt, runtest: Added new test for ionized species. + +2007-01-01 13:20 hkmoffa + + * Cantera/src/: BasisOptimize.cpp, ChemEquil.cpp, ChemEquil.h, + ThermoPhase.cpp: Modification to some of the ChemEquil algorithms + to handle charged species effectively and to handle equilibrium + situations where the number of components is less than the number + of elements. + +2006-12-14 12:51 hkmoffa + + * Cantera/src/: IdealGasPhase.cpp, State.cpp, oneD/Domain1D.cpp, + zeroD/Wall.cpp: solaris port std:: additions + +2006-12-14 10:47 hkmoffa + + * examples/cxx/Makefile.in: solaris port CXX_depends addition + +2006-12-14 10:46 hkmoffa + + * ext/: f2c_blas/Makefile.in, f2c_lapack/Makefile.in, + f2c_libs/arith.h, f2c_libs/f2c.h, f2c_math/Makefile.in, + f2c_recipes/Makefile.in, tpx/Makefile.in: solaris port + CXX_DEPENDS variable addition + +2006-12-14 10:43 hkmoffa + + * test_problems/: ChemEquil_gri_matrix/Makefile.in, + ChemEquil_gri_pairs/Makefile.in, cathermo/DH_graph_1/Makefile.in, + cathermo/HMW_graph_CpvT/Makefile.in, + cathermo/HMW_graph_GvI/Makefile.in, + cathermo/HMW_graph_GvT/Makefile.in, + cathermo/HMW_graph_HvT/Makefile.in, + cathermo/HMW_graph_VvT/Makefile.in, + cathermo/HMW_test_1/Makefile.in, cathermo/HMW_test_3/Makefile.in, + cathermo/ims/Makefile.in, cathermo/issp/Makefile.in, + cathermo/testIAPWS/Makefile.in, + cathermo/testIAPWSPres/Makefile.in, + cathermo/testIAPWSTripP/Makefile.in, + cathermo/testWaterPDSS/Makefile.in, + cathermo/testWaterTP/Makefile.in, diamondSurf/Makefile.in, + fracCoeff/Makefile.in, min_python/minDiamond/Makefile.in, + min_python/negATest/Makefile.in, negATest/Makefile.in, + silane_equil/Makefile.in, surfkin/Makefile.in: solaris port added + the CXX_DEPENDS variable. + +2006-12-14 10:42 hkmoffa + + * Cantera/: clib/src/Makefile.in, cxx/demos/Makefile.in, + cxx/src/Makefile.in, fortran/src/Makefile.in, matlab/Makefile.in, + src/Makefile.in, src/converters/Makefile.in, + src/oneD/Makefile.in, src/thermo/Makefile.in, + src/transport/Makefile.in, src/zeroD/Makefile.in, + user/Makefile.in: solaris port Added the @CXX_DEPENDS@ variable. + +2006-12-14 10:40 hkmoffa + + * configure: Added CXX_DEPENDS + +2006-12-14 10:39 hkmoffa + + * configure.in: solaris port: Added a CXX_DEPENDS variable. + +2006-12-14 10:36 hkmoffa + + * Cantera/src/: ShomatePoly.h, ct_defs.h: solaris port std:: + additions + +2006-12-14 10:34 hkmoffa + + * Cantera/src/: LatticePhase.h, MultiPhase.h: solaris port + +2006-12-14 10:32 hkmoffa + + * Cantera/src/: utilities.h, xml.h, InterfaceKinetics.h: solaris + port std:: additions + +2006-12-14 10:31 hkmoffa + + * Cantera/src/: Group.h, IdealGasPhase.h: solaris port std:: + additions. + +2006-12-14 10:29 hkmoffa + + * Cantera/src/: Func1.h, GasKinetics.h: solaris port std:: + additions + +2006-12-14 10:28 hkmoffa + + * Cantera/src/: StoichManager.h, ThermoPhase.h: solaris port std:: + additions. + +2006-12-14 10:24 hkmoffa + + * Cantera/src/: NasaPoly1.h, NasaPoly2.h: solaris port std:: + additions + +2006-12-14 10:17 hkmoffa + + * Cantera/src/: BandMatrix.h, ConstDensityThermo.h, EdgeKinetics.h: + solaris port; std:: additions + +2006-12-14 10:11 hkmoffa + + * Cantera/src/: logger.h, stringUtils.h: solaris port: std:: of + exit() and atoi, atof + +2006-12-14 10:07 hkmoffa + + * Cantera/src/State.h: solaris port: std::inner_product() + +2006-12-14 10:04 hkmoffa + + * Cantera/src/transport/MultiTransport.h: solaris port: std::copy + +2006-12-14 10:03 hkmoffa + + * Cantera/src/oneD/: Domain1D.h, Inlet1D.h: solaris port: std:: + applied to copy() + +2006-12-14 09:48 dggoodwin + + * Cantera/matlab/: setup_matlab.py.in, + cantera/private/phasemethods.cpp, + cantera/private/thermomethods.cpp: fixed minor bugs that kept + toolbox from building under R2006b -- dont call mxGetPr with a + char variable --. + +2006-12-14 09:47 dggoodwin + + * configure.in, preconfig: improved detection of MATLAB + +2006-12-14 08:53 hkmoffa + + * Cantera/src/oneD/StFlow.h: solaris port: sqrt to std:sqrt + +2006-12-14 08:51 hkmoffa + + * Cantera/src/zeroD/FlowDevice.h: solaris port: std::copy + +2006-12-14 08:46 hkmoffa + + * Cantera/src/Array.h: Added std:: to fill() command. solaris + port issues + +2006-12-11 18:23 hkmoffa + + * Cantera/src/: BasisOptimize.cpp, ChemEquil.cpp, ChemEquil.h, + MultiPhase.h, MultiPhaseEquil.cpp: Upgraded the BasisOptimize + file. It now has been tested a bit more. ElementRearrange() + function has been added to it. + + ChemEquil has been upgraded. It now uses BasisOptimize. A better + estimateElementPotentials() function has been installed that + doesn't lead to as many stalls in the main algorithm. This is + achieved by making sure that estimated mole fractions of + component species are significant. + + Various tweaks to estimateEP_Brinkley() has been added. It now + passes the gri30 test problem in the fuego_tabular_props + application. + +2006-12-11 10:42 hkmoffa + + * Cantera/src/BasisOptimize.cpp: Fixed a potential unsatisfied + external, if someone were to define DEBUG_HKM. + +2006-12-11 10:29 hkmoffa + + * Cantera/src/: BasisOptimize.cpp, ChemEquil.cpp, ChemEquil.h, + Makefile.in, MultiPhase.cpp, MultiPhase.h: Utility commit: + Fixed an error in ChemEquil.cpp where there was an overwrite of + an array. Added a getMoles() command to MultiPhase object. + Added the file BasisOptimize which calculates the number of + components in a multiphase problem rigorously, using a QR + factorization of the stoichiometric coefficent matrix, and + calculates an optimized basis set of components using those + species with the largest concentrations. It also calculates the + formationRxnMatrix based on those components. This routine isn't + hooked into anything yet. + +2006-11-28 12:19 hkmoffa + + * test_problems/cathermo/: DH_graph_1/DH_graph_1.cpp, + HMW_graph_CpvT/HMW_graph_CpvT.cpp, + HMW_graph_GvI/HMW_graph_GvI.cpp, HMW_graph_HvT/HMW_graph_HvT.cpp, + HMW_graph_VvT/HMW_graph_VvT.cpp, HMW_test_1/HMW_test_1.cpp, + HMW_test_3/HMW_test_3.cpp: Added namespace std + +2006-11-28 12:15 hkmoffa + + * test_problems/cathermo/HMW_graph_GvT/HMW_graph_GvT.cpp: added + namespace std + +2006-11-28 12:14 hkmoffa + + * test_problems/cathermo/testWaterTP/testWaterTP.cpp: Added + namespace Cantera. + +2006-11-28 12:13 hkmoffa + + * test_problems/cathermo/testWaterPDSS/testWaterPDSS.cpp: + Eliminated unused variables. + +2006-11-28 12:11 hkmoffa + + * test_problems/min_python/negATest/negATest.cpp: Added the + namespace std; + +2006-11-28 10:44 hkmoffa + + * Cantera/src/thermo/: DebyeHuckel.cpp, DebyeHuckel.h, HMWSoln.cpp, + HMWSoln.h, HMWSoln_input.cpp, IdealMolalSoln.cpp, + IdealMolalSoln.h, IdealSolidSolnPhase.h, MolalityVPSSTP.cpp, + MolalityVPSSTP.h, PDSS.cpp, PDSS.h, SingleSpeciesTP.cpp, + SingleSpeciesTP.h, VPStandardStateTP.cpp, VPStandardStateTP.h, + WaterPDSS.cpp, WaterPDSS.h, WaterTP.cpp, WaterTP.h: Uupdaetd the + structure of the namespaces so that it would compile. + +2006-11-28 10:03 hkmoffa + + * Cantera/src/: CVode.h, ODE_integrators.cpp: Added namespace + qualifiers to the string type. + +2006-11-27 13:43 dggoodwin + + * ChangeLog, configure.in, preconfig, Cantera/clib/src/Cabinet.h, + Cantera/clib/src/Storage.h, Cantera/clib/src/clib_defs.h, + Cantera/clib/src/ct.cpp, Cantera/cxx/demos/example_utils.h, + Cantera/cxx/demos/rankine.cpp, Cantera/cxx/include/Cantera.h, + Cantera/cxx/include/Edge.h, Cantera/cxx/include/GRI30.h, + Cantera/cxx/include/IdealGasMix.h, + Cantera/cxx/include/IncompressibleSolid.h, + Cantera/cxx/include/Interface.h, Cantera/cxx/include/Metal.h, + Cantera/cxx/include/PureFluid.h, + Cantera/cxx/include/importPhase.h, Cantera/cxx/include/zerodim.h, + Cantera/cxx/src/cxxutils.cpp, Cantera/fortran/src/flib_defs.h, + Cantera/src/Array.h, Cantera/src/ArrayViewer.h, + Cantera/src/BandMatrix.cpp, Cantera/src/BandMatrix.h, + Cantera/src/CVodesIntegrator.h, Cantera/src/Constituents.h, + Cantera/src/DAE_Solver.h, Cantera/src/EdgeKinetics.h, + Cantera/src/Elements.cpp, Cantera/src/Elements.h, + Cantera/src/Enhanced3BConc.h, Cantera/src/FalloffMgr.h, + Cantera/src/GasKinetics.h, Cantera/src/GeneralSpeciesThermo.h, + Cantera/src/Group.cpp, Cantera/src/Group.h, + Cantera/src/ImplicitSurfChem.cpp, Cantera/src/ImplicitSurfChem.h, + Cantera/src/Integrator.h, Cantera/src/InterfaceKinetics.cpp, + Cantera/src/InterfaceKinetics.h, Cantera/src/Kinetics.h, + Cantera/src/KineticsFactory.cpp, Cantera/src/KineticsFactory.h, + Cantera/src/LatticePhase.h, Cantera/src/LatticeSolidPhase.cpp, + Cantera/src/LatticeSolidPhase.h, Cantera/src/Mu0Poly.cpp, + Cantera/src/Mu0Poly.h, Cantera/src/MultiPhase.cpp, + Cantera/src/MultiPhase.h, Cantera/src/MultiPhaseEquil.cpp, + Cantera/src/MultiPhaseEquil.h, Cantera/src/Phase.cpp, + Cantera/src/Phase.h, Cantera/src/RateCoeffMgr.h, + Cantera/src/ReactionData.h, Cantera/src/ReactionPath.cpp, + Cantera/src/ReactionPath.h, Cantera/src/ReactionStoichMgr.cpp, + Cantera/src/ReactionStoichMgr.h, Cantera/src/ResidEval.h, + Cantera/src/RxnRates.h, Cantera/src/SpeciesThermo.h, + Cantera/src/SpeciesThermoFactory.cpp, + Cantera/src/SpeciesThermoFactory.h, + Cantera/src/SpeciesThermoMgr.h, Cantera/src/StoichManager.h, + Cantera/src/SurfPhase.h, Cantera/src/ThermoFactory.cpp, + Cantera/src/ThermoFactory.h, Cantera/src/ThermoPhase.cpp, + Cantera/src/ThermoPhase.h, Cantera/src/ThirdBodyMgr.h, + Cantera/src/ct2ctml.cpp, Cantera/src/ct_defs.h, + Cantera/src/ctexceptions.h, Cantera/src/ctml.cpp, + Cantera/src/ctml.h, Cantera/src/ctvector.h, Cantera/src/global.h, + Cantera/src/importCTML.cpp, Cantera/src/importCTML.h, + Cantera/src/logger.h, Cantera/src/misc.cpp, + Cantera/src/phasereport.cpp, Cantera/src/plots.cpp, + Cantera/src/plots.h, Cantera/src/polyfit.h, + Cantera/src/speciesThermoTypes.h, Cantera/src/stringUtils.cpp, + Cantera/src/stringUtils.h, Cantera/src/units.h, + Cantera/src/vec_functions.h, Cantera/src/xml.h, + Cantera/src/oneD/Domain1D.cpp, Cantera/src/oneD/Domain1D.h, + Cantera/src/oneD/Inlet1D.h, Cantera/src/oneD/MultiNewton.cpp, + Cantera/src/oneD/MultiNewton.h, Cantera/src/oneD/OneDim.cpp, + Cantera/src/oneD/OneDim.h, Cantera/src/oneD/Resid1D.h, + Cantera/src/oneD/Sim1D.cpp, Cantera/src/oneD/Sim1D.h, + Cantera/src/oneD/Solid1D.h, Cantera/src/oneD/StFlow.cpp, + Cantera/src/oneD/StFlow.h, Cantera/src/oneD/Surf1D.h, + Cantera/src/oneD/boundaries1D.cpp, + Cantera/src/oneD/newton_utils.cpp, Cantera/src/oneD/refine.h, + Cantera/src/transport/DustyGasTransport.cpp, + Cantera/src/transport/MMCollisionInt.cpp, + Cantera/src/transport/MixTransport.cpp, + Cantera/src/transport/MultiTransport.cpp, + Cantera/src/transport/MultiTransport.h, + Cantera/src/transport/SolidTransport.cpp, + Cantera/src/transport/TransportBase.h, + Cantera/src/transport/TransportFactory.cpp, + Cantera/src/zeroD/ConstPressureReactor.cpp, + Cantera/src/zeroD/ConstPressureReactor.h, + Cantera/src/zeroD/FlowDevice.cpp, Cantera/src/zeroD/FlowDevice.h, + Cantera/src/zeroD/FlowReactor.cpp, + Cantera/src/zeroD/FlowReactor.h, Cantera/src/zeroD/Reactor.cpp, + Cantera/src/zeroD/Reactor.h, Cantera/src/zeroD/ReactorBase.cpp, + Cantera/src/zeroD/ReactorBase.h, + Cantera/src/zeroD/ReactorFactory.cpp, + Cantera/src/zeroD/ReactorFactory.h, + Cantera/src/zeroD/ReactorNet.cpp, Cantera/src/zeroD/ReactorNet.h, + Cantera/src/zeroD/Wall.cpp, Cantera/src/zeroD/Wall.h, + Cantera/user/user.cpp, examples/cxx/example_utils.h, + examples/cxx/examples.cpp, examples/cxx/kinetics_example1.cpp, + ext/f2c_libs/arith.h, + test_problems/ChemEquil_gri_matrix/gri_matrix.cpp, + test_problems/ChemEquil_gri_pairs/gri_pairs.cpp, + test_problems/negATest/negATest.cpp, + test_problems/silane_equil/IdealGasMix.h, + test_problems/silane_equil/silane_equil.cpp, + test_problems/surfkin/Interface.h, + test_problems/surfkin/surfdemo.cpp, tools/src/cti2ctml.cpp: + removed using namespace statements from Cantera header files, and + fully qualified most members of std (string, vector< >, etc.) in + header files. User programs may need to have "using namespace" + statements added. + +2006-11-14 01:20 dggoodwin + + * Cantera/python/examples/reactors/surf_pfr.py: added pfr example + +2006-11-14 01:18 dggoodwin + + * Cantera.README: Cantera.README no longer used + +2006-11-14 00:40 dggoodwin + + * configure, configure.in, Cantera/src/MultiPhaseEquil.cpp: minor + cleanup + +2006-11-13 11:55 dggoodwin + + * Cantera/src/CVodesIntegrator.h, ext/f2c_libs/arith.h, + win32/vc7/Sundials/CVODES/CVODES.vcproj, + win32/vc7/Sundials/NVEC_SER/NVEC_SER.vcproj, + win32/vc7/Sundials/SUNDIALS_SHARED/SUNDIALS_SHARED.vcproj, + win32/vc7/cantera/cantera.vcproj: minor cleanup + +2006-11-13 11:46 dggoodwin + + * win32/vc7/Sundials/sundials/sundials_config.h: added + sundials_config.h so that users can build sundials without having + to run configure + +2006-11-13 08:39 dggoodwin + + * ChangeLog, preconfig, ext/f2c_libs/arith.h, + test_problems/python/runtest: minor changes + +2006-11-12 20:23 dggoodwin + + * License.rtf, preconfig, winconfig.h, ext/f2c_libs/arith.h: minor + cleanup + +2006-11-12 20:22 dggoodwin + + * win32/vc7/demos/: NASA_coeffs.vcproj, combustor.vcproj, + flamespeed.vcproj, kinetics1.vcproj: added example project files + +2006-11-12 20:21 dggoodwin + + * win32/vc7/: SetupCantera/SetupCantera.vdproj, + SetupCantera/SetupCanteraLite.vdproj, cantera.sln, + Sundials/CVODES/CVODES.vcproj, + Sundials/CVODES_DENSE/CVODES_DENSE.vcproj, + Sundials/IDA/IDA.vcproj, Sundials/KINSOL/KINSOL.vcproj, + Sundials/NVEC_SER/NVEC_SER.vcproj, + Sundials/SUNDIALS_SHARED/SUNDIALS_SHARED.vcproj, + cantera/cantera.vcproj, demos/CanteraDemos.sln, + demos/Rankine.vcproj, demos/demo.vcproj, zeroD/zeroD.vcproj: + update of project files + +2006-11-11 06:12 dggoodwin + + * win32/vc7/: cantera.sln, cantera_no_sundials.sln, + SetupCantera/SetupCantera.vdproj, cantera/cantera.vcproj: added + no_sundials version + +2006-11-11 06:10 dggoodwin + + * win32/vc7/Sundials/: Sundials.sln, + CVODES_DENSE/CVODES_DENSE.vcproj: added cvodes_dense + +2006-11-11 05:23 dggoodwin + + * preconfig, Cantera/src/Makefile.in, + Cantera/src/zeroD/Makefile.in: minor changes to how dependencies + are handled in Makefiles + +2006-11-10 17:38 dggoodwin + + * configure, configure.in: fixed null username + +2006-11-10 17:37 dggoodwin + + * tools/src/finish_install.py.in: added writing PYTHONPATH to + setup_Cantera for min_Python + +2006-11-10 05:48 dggoodwin + + * Cantera/src/CVodesIntegrator.h: minor cleanup + +2006-11-09 05:04 dggoodwin + + * Cantera/python/examples/fuel_cells/: sofc.cti, sofc.py: added + fuel cell demo + +2006-11-08 16:19 dggoodwin + + * Cantera/src/ThermoPhase.h: minor cleanup + +2006-11-08 15:58 dggoodwin + + * Makefile.in, preconfig, Cantera/python/Cantera/OneD/onedim.py, + ext/f2c_libs/arith.h: install Makefiles for python demos + +2006-11-08 15:14 dggoodwin + + * Cantera/python/examples/: Makefile, equilibrium/Makefile, + equilibrium/stoich.py, flames/Makefile, gasdynamics/Makefile, + kinetics/Makefile, liquid_vapor/Makefile, misc/Makefile, + reactors/Makefile, surface_chemistry/Makefile, + transport/Makefile: added Makefiles to run all demos + +2006-11-07 13:03 dggoodwin + + * Cantera/src/zeroD/ReactorNet.h: added verbose, setVerbose + +2006-11-07 13:02 dggoodwin + + * Cantera/src/zeroD/ReactorBase.h: added setName + +2006-11-07 05:47 dggoodwin + + * Cantera/src/: State.h, State.cpp: added method concentration(int + k) + +2006-11-06 07:27 dggoodwin + + * Cantera/cxx/demos/NASA_coeffs.cpp: added NASA polynomial example + +2006-11-06 07:20 dggoodwin + + * Cantera/src/: Constituents.h, NasaPoly1.h, NasaThermo.h, + SpeciesThermo.h, SpeciesThermoFactory.cpp, + SpeciesThermoInterpType.h: added support for modifying NASA + polynomial coefficients + +2006-11-05 07:54 dggoodwin + + * data/inputs/methane_pox_on_pt.cti: added mechanism for partial + oxidation of methane on platinum from the Deutschmann group + +2006-11-03 12:45 dggoodwin + + * winconfig.h: updated + +2006-11-03 12:44 dggoodwin + + * win32/vc7/Sundials/: CVODES/CVODES.vcproj, IDA/IDA.vcproj, + KINSOL/KINSOL.vcproj, NVEC_SER/NVEC_SER.vcproj, + SUNDIALS_SHARED/SUNDIALS_SHARED.vcproj: initial import + +2006-11-02 17:32 dggoodwin + + * win32/vc7/SetupCantera/SetupCantera.vdproj, + win32/vc7/SetupCantera/SetupCanteraLite.vdproj, + win32/vc7/ctmatlab/runmlab.cmd, Cantera/python/winsetup.py, + License.txt: updated for Cantera 1.7 + +2006-10-31 11:09 dggoodwin + + * Cantera/src/ReactionStoichMgr.cpp: fixed bug that resulted in + incorrect computation of product concentration products when rxn + has 4 or more product molecules and one or more has a stoich + coeff > 1 + +2006-10-30 11:30 dggoodwin + + * configure, configure.in, preconfig, ext/f2c_libs/arith.h, + tools/src/finish_install.py.in: modified for cygwin + +2006-10-27 13:34 dggoodwin + + * configure, configure.in, tools/src/finish_install.py.in: mods for + cygwin + +2006-10-22 18:13 dggoodwin + + * Cantera/src/CVodesIntegrator.cpp: sundials version detection + +2006-10-22 17:58 dggoodwin + + * preconfig: debug off is noe the default + +2006-10-22 17:56 dggoodwin + + * Cantera/src/: ChemEquil.cpp, MultiPhaseEquil.cpp: moved + declaration of nCutoff to avoid jumping over it, causing a + compile failure with gcc 4.0.1 on linuxChemEquil.cpp + +2006-10-22 17:51 dggoodwin + + * tools/templates/cxx/demo.mak.in: removed FLIBS + +2006-10-20 14:56 hkmoffa + + * test_problems/min_python/Makefile.in: Added -s to make tests. + +2006-10-20 14:55 hkmoffa + + * test_problems/cathermo/HMW_graph_GvI/.cvsignore: Added a file. + +2006-10-20 14:54 hkmoffa + + * test_problems/fracCoeff/runtest: Added an exit variable. + +2006-10-20 14:47 hkmoffa + + * test_problems/ChemEquil_gri_matrix/output_blessed.txt: Slight + change to the blessed solution. + +2006-10-20 14:43 hkmoffa + + * configure, configure.in, test_problems/Makefile.in: Added new + test directories. + +2006-10-20 14:42 hkmoffa + + * Cantera/src/sort.h: Added an Id stamp. + +2006-10-20 14:41 hkmoffa + + * Cantera/src/misc.cpp: Fixed an error in the LogGroup system. + +2006-10-20 14:40 hkmoffa + + * Cantera/src/ChemEquil.cpp: eliminated an unused variable. + +2006-10-20 14:34 hkmoffa + + * Cantera/src/: ChemEquil.cpp, ChemEquil.h: Reworking of the solver + algorithm within ChemEquil: + + Much of the algorithm for relaxing the element potentials + to equilibrium employs the Brinkley algorithm (const T, P) (p. + 129 Smith and Missen). This algorithm does better at relaxing the + system towards steady state from a bad initial guess. + + The old algorithm now does the last little bit and it does + the calculation for fixed pairs other than const T, P, using the + Brinkley algorithm's initial guess. + + Modified the damping algorithm in the old method. It now + doesn't + create false convergence failures when it is close to the end of + the calculation. + + The new solver has been tested against a matrix of initial + conditions + for the gri30 mechanism and a 200 species jp8 mechanism. + + Yet to do: This routine should work but has not been checked + out against: phases with electric charge nonideal + phases. This routine should probably not yet work with + molality based phases. More work may have to be done with the + Brinkley algorithm for problems which suffer from + stoichiometric constraints. A full Gauss-Jordon elimination + step should probably be added to flag cases where there are + effective stoichiometric constraints. + +2006-10-20 14:22 hkmoffa + + * Cantera/src/: equil.h, equilibrate.cpp: Added more error control + and checking. This is needed for new test problems. + +2006-10-20 14:20 hkmoffa + + * Cantera/src/MultiPhase.h: Added a couple of comments. + +2006-10-20 14:19 hkmoffa + + * Cantera/src/: ThermoPhase.cpp, ThermoPhase.h: Change to the + function getElementPotentials(). It now returns a boolean to + indicate whether the object has element potentials or not. + +2006-10-20 14:17 hkmoffa + + * Cantera/src/IdealGasPhase.cpp: Change to setToEquilState() to + guard against inf results. + +2006-10-20 14:12 hkmoffa + + * test_problems/ChemEquil_gri_matrix/: .cvsignore, Makefile.in, + gri30.xml, gri_matrix.cpp, output_blessed.txt, runtest: Added + another test program for the element potential equilibrium + solver. This test does a matrix of T, pres, and mixture fraction + for the gri30 mechanism. It does a total of 1500 calculation + starting from a bad initial guess. + +2006-10-20 14:09 hkmoffa + + * test_problems/ChemEquil_gri_pairs/: .cvsignore, Makefile.in, + gri30.xml, gri_pairs.cpp, output_blessed.txt, runtest: Added + another test for the element potential equilibrium solver. This + test covers all pair options. + +2006-10-20 14:06 hkmoffa + + * test_problems/silane_equil/output_blessed.txt: Changed the + blessed file: printout has changed. + +2006-10-10 09:02 dggoodwin + + * apps/bvp/: BoundaryValueProblem.h, README, blasius.cpp: initial + import + +2006-10-02 15:24 hkmoffa + + * Makefile.in: Added a file to the installed demo/cxx directory. It + was needed so that the cxx files would compile out of the box. + +2006-10-02 12:10 hkmoffa + + * Cantera/src/State.cpp: In the init() routine, I set the initial + mass fraction vector so that it sums to one. Previously, it was + set uniformly to zero. The mass fraction of species 0 is set to + 1. This was noticed by a user, and may have resulted in seg + faults before the ThermoPhase object was properly initialized. + +2006-10-02 09:38 hkmoffa + + * Cantera/fortran/f77demos/f77demos.mak.in: Fixed the Makefile that + gets used in the install directories. autoconf variables needed + updating. + +2006-08-29 09:49 hkmoffa + + * tools/testtools/csvdiff.cpp: Fixed an error for zero length + files. + +2006-08-27 17:19 hkmoffa + + * tools/testtools/csvdiff.cpp: Added default column titles, if none + are supplied in the file. This avoids a seg fault. + +2006-08-21 17:38 hkmoffa + + * Makefile.in: Changed a few of the install commands to install_tsc + (time step check). These are needed in a few places so make + doesn't do any extra work when it doesn't need to. + + Changed a few of the "install multiple files at once" cases into + installations where one file is installed at a time. Some install + commands, including the one that comes with cantera can only + install one file at a time. + +2006-08-21 17:34 hkmoffa + + * bin/install_tsc.in: Used the INSTALL_VERBOSE rule to check + whether install can use the -v flag. If it can't echo is used to + mimic its behavior. + +2006-08-21 17:31 hkmoffa + + * configure, configure.in: Installed a rule to check if the install + command uses the flag -v. I found an openbsd system where this + was not the case. + +2006-08-21 09:44 hkmoffa + + * Cantera/Makefile.in: Added user directory to a lot of the rules. + Took out the cads directory. + +2006-08-21 09:42 hkmoffa + + * Cantera/user/Makefile.in: Added an install rule to the Makefile + +2006-08-19 17:18 hkmoffa + + * Cantera/cxx/demos/Makefile.in: Added depends include at the end + of the file. + +2006-08-19 17:17 hkmoffa + + * Cantera/cxx/Makefile.in: Fixed clean rules. + +2006-08-19 17:14 hkmoffa + + * bin/.cvsignore: Added a file. + +2006-08-19 17:13 hkmoffa + + * examples/cxx/kinetics_example3.cpp: Changed the name of the input + routine to gri.xml from gri.ctml. This test is always run, so it + must be run even if minimal python installation isn't done. + Therefore, xml files must be used as input. + +2006-08-19 17:11 hkmoffa + + * test_problems/min_python/minDiamond/runtest: Fixed the name of + some environmental variables + +2006-08-19 17:09 hkmoffa + + * test_problems/cathermo/HMW_test_1/HMW_test_1.cpp: Changed the + #ifdef name + +2006-08-19 17:00 hkmoffa + + * test_problems/cathermo/HMW_graph_VvT/: HMW_graph_VvT.cpp, + Makefile.in, V_standalone.cpp, output_blessed.txt: Refined the + regression test slightly, to make it less stringent. Added to + make clean rule + +2006-08-19 16:54 hkmoffa + + * test_problems/cathermo/HMW_graph_CpvT/: Cp_standalone.cpp, + Makefile.in: Fixed warning messages and added to make clean rule + +2006-08-19 16:52 hkmoffa + + * test_problems/cathermo/HMW_graph_HvT/: HMW_graph_HvT.cpp, + L_standalone.cpp, Makefile.in: Got rid of warning messages and + added to make clean rule + +2006-08-19 16:48 hkmoffa + + * test_problems/cathermo/HMW_graph_GvT/Makefile.in: Added to the + make clean rule + +2006-08-19 11:15 hkmoffa + + * ext/f2c_libs/.cvsignore: Added a directory. + +2006-08-19 11:14 hkmoffa + + * ext/f2c_libs/sysdep1.h0: Added some comments about a particular + problem on old solaris systems. + +2006-08-19 11:13 hkmoffa + + * ext/f2c_libs/err.c: Eliminated an ld warning by setting a local + variable as static. + +2006-08-19 09:08 hkmoffa + + * Cantera/src/oneD/Sim1D.cpp: Fixed an optimization compiler + warning about a possible uninitialized variable. + +2006-08-17 09:24 hkmoffa + + * configure, configure.in: Added lines to remove a temporary file + f90out + +2006-08-17 08:46 hkmoffa + + * configure, configure.in: Took out a Makefile creation rule that + was a duplicate. + +2006-08-17 08:38 hkmoffa + + * examples/cxx/.cvsignore: Added a few misc files. + +2006-08-15 16:36 hkmoffa + + * ext/f2c_libs/: f2c.h, f2c.h0: Made these two files compatible, so + that there would be no confusion. Changed the logical + definition, which wasn't being used, to int from long int. + +2006-08-15 15:33 hkmoffa + + * test_problems/Makefile.in: A couple of directories were left out + of the clean and depends rules. + +2006-08-15 15:03 hkmoffa + + * Makefile.in, configure.in: On Sun10, the cantera install is used. + It only accepts one file at a time. + +2006-08-15 14:59 hkmoffa + + * Cantera/src/thermo/Makefile.in: This change is needed in order + for clean to work in some cases. + +2006-08-15 14:38 hkmoffa + + * test_problems/cathermo/DH_graph_1/Makefile.in: added .depends to + the list of dependencies. + +2006-08-14 18:12 hkmoffa + + * Makefile.in, configure.in, preconfig: Fixed some small errors in + the install process. + +2006-08-14 15:53 hkmoffa + + * ext/f2c_libs/Makefile.in: Fixed an error in a Makefile. + +2006-08-14 15:01 hkmoffa + + * ext/cvode/Makefile.in: Fixed a make clean rule in ext/cvode + +2006-08-14 14:00 hkmoffa + + * test_problems/cathermo/HMW_test_3/: HMW_test_3.cpp, Makefile.in: + Added DEBUG_MODE flag to compilation line. + +2006-08-14 13:54 hkmoffa + + * Cantera/src/thermo/Makefile.in: Added DEGUG_MODE to the defaults. + +2006-08-14 13:48 hkmoffa + + * test_problems/cathermo/HMW_graph_VvT/HMW_graph_VvT.cpp: Fixed a + roundoff issue + +2006-08-14 13:44 hkmoffa + + * test_problems/cathermo/HMW_graph_CpvT/HMW_graph_CpvT.cpp: Fixed + some initialization issues. + +2006-08-14 13:39 hkmoffa + + * test_problems/cathermo/testIAPWS/output_blessed.txt: New blessed + file due to accuracy decrease. + +2006-08-14 13:38 hkmoffa + + * Cantera/src/thermo/WaterPropsIAPWSphi.cpp: Slightly decreased the + accuracy of internal check in one case. + +2006-08-14 13:32 hkmoffa + + * test_problems/cathermo/DH_graph_1/: .cvsignore, DH_graph_1.cpp, + runtest: Changed the logger instantiation. This apparently made a + difference on SUSE. Changed the runtest script to default to the + correct location of CANTERA_DATA. + +2006-08-14 12:32 hkmoffa + + * test_problems/cxx_ex/: .cvsignore, runtest: Relaxed the tolerance + on the comparison for the kin1 problem. It had failed on SUSE + problems + +2006-08-14 12:18 hkmoffa + + * Cantera/src/thermo/: IdealMolalSoln.cpp, WaterPDSS.h: Fixed a + compilation error that popped up on SUSE 9.0. + +2006-07-25 09:52 hkmoffa + + * tools/doc/Makefile.in: Fixed the makefile so that it wouldn't + eliminate cvs files and it won't produce any warning output. + +2006-07-23 10:46 hkmoffa + + * test_problems/cathermo/testWaterTP/testWaterTP.cpp: Took out + warnings. + +2006-07-13 13:06 hkmoffa + + * test_problems/cathermo/: HMW_graph_CpvT/.cvsignore, + HMW_graph_CpvT/HMW_NaCl_sp1977_alt.xml, + HMW_graph_GvI/HMW_NaCl.xml, + HMW_graph_GvT/HMW_NaCl_sp1977_alt.xml, HMW_graph_HvT/.cvsignore, + HMW_graph_HvT/HMW_NaCl_sp1977_alt.xml, HMW_graph_VvT/.cvsignore, + HMW_graph_VvT/HMW_NaCl_sp1977_alt.xml, HMW_test_1/HMW_NaCl.xml, + HMW_test_3/HMW_NaCl_tc.xml: Change in xml data file to support + new changes. standardState xml node value for water now matters. + +2006-07-13 13:05 hkmoffa + + * Cantera/src/: xml.h, thermo/DebyeHuckel.cpp, + thermo/DebyeHuckel.h, thermo/HMWSoln.cpp, + thermo/HMWSoln_input.cpp: Another iteration on trying to unify + the water treatment between the 2 objects. + +2006-07-12 08:42 hkmoffa + + * test_problems/cathermo/: Makefile.in, + testIAPWSTripP/testTripleP.cpp: Minor changes. + +2006-07-12 08:41 hkmoffa + + * Cantera/src/thermo/: DebyeHuckel.cpp, DebyeHuckel.h, HMWSoln.cpp, + HMWSoln.h: Unifying the water treatment between objects. Found a + bug in getPartialMolarEntropy in HMWSoln that wasn't covered in + the test suite. + +2006-07-11 17:46 hkmoffa + + * Cantera/src/thermo/: DebyeHuckel.cpp, DebyeHuckel.h, HMWSoln.cpp, + HMWSoln.h: Iteration on unifying water treatments in the 2 + objects. + +2006-07-11 10:13 hkmoffa + + * test_problems/cathermo/: HMW_test_1/.cvsignore, + HMW_test_3/.cvsignore, testIAPWSPres/output_blessed.txt, + testIAPWSPres/testPress.cpp, testIAPWSTripP/output_blessed.txt, + testIAPWSTripP/testTripleP.cpp, testWaterPDSS/output_blessed.txt, + testWaterPDSS/testWaterPDSS.cpp, testWaterTP/output_blessed.txt, + testWaterTP/testWaterTP.cpp: Changed some of the tests so that + quantities that are nominally zero should be set to zero exactly + if they are below a tolerance. In this way, unconsequential + roundoff errors don't trigger false results. + +2006-07-11 09:30 dggoodwin + + * Cantera/src/: DAE_solvers.cpp, Crystal.h, IDA_Solver.h, + ResidEval.h: initial import + +2006-07-11 08:40 dggoodwin + + * Cantera/src/oneD/Sim1D.cpp: commented out 2 output statements + +2006-07-11 08:39 dggoodwin + + * Cantera/src/stringUtils.cpp: minor cleanup + +2006-07-11 08:38 dggoodwin + + * Cantera/src/misc.cpp: commented out code that will try to find a + cti file if the xml file is not found. + +2006-07-11 08:35 dggoodwin + + * Cantera/src/RateCoeffMgr.h: minor cleanup + +2006-07-11 08:34 dggoodwin + + * Cantera/src/PropertyCalculator.h: made destructor virtual + +2006-07-11 08:33 dggoodwin + + * Cantera/src/: MultiPhase.cpp, MultiPhase.h: added some consts, + and a routine to read a multiphase mixture from an input file, + but this is not yet active + +2006-07-11 08:31 dggoodwin + + * Cantera/src/Makefile.in: added Crystal class, DAE_Solvers + +2006-07-11 08:28 dggoodwin + + * Cantera/src/: DAE_Solver.h, IDA_Solver.cpp: initial import + +2006-07-11 08:28 dggoodwin + + * Cantera/src/CVodesIntegrator.h: updated for latest sundials + +2006-07-11 08:25 dggoodwin + + * Cantera/src/MultiPhaseEquil.cpp: fixed minor bug that caused + problems in some cases when an element was excluded. + +2006-07-07 11:09 hkmoffa + + * test_problems/cathermo/: Makefile.in, DH_graph_1/Makefile.in, + HMW_graph_CpvT/Makefile.in, HMW_graph_GvT/.cvsignore, + HMW_graph_GvT/Makefile.in, HMW_graph_HvT/Makefile.in, + HMW_graph_VvT/Makefile.in, HMW_test_1/Makefile.in, + HMW_test_3/Makefile.in, ims/Makefile.in, issp/Makefile.in, + testIAPWS/Makefile.in, testIAPWSPres/Makefile.in, + testIAPWSTripP/Makefile.in, testWaterPDSS/Makefile.in, + testWaterTP/Makefile.in: Made the testing process alot less + verbose. Hopefully, the bottom line pass/fail result will now be + more evident. + +2006-07-07 11:07 hkmoffa + + * config.h.in, configure, configure.in, preconfig: Turned on and + documented the DEBUG_MODE capability. It will now create a + config.h entry, and a Makefile.in substitution variable, + CANTERA_DEBUG_MODE, which can be used in the test suite. + +2006-07-07 11:05 hkmoffa + + * Cantera/src/thermo/: DebyeHuckel.h, HMWSoln.cpp, HMWSoln.h, + HMWSoln_input.cpp: Took out an unneeded parameter B_Debye in + Pitzer model. Switched to DEBUG_MODE for optional printing. + +2006-07-07 09:31 hkmoffa + + * test_problems/cathermo/HMW_graph_GvT/: HMW_graph_GvT.cpp, + output_blessed.txt: Added some text to the output. + +2006-07-06 17:34 hkmoffa + + * test_problems/cathermo/HMW_test_3/Makefile.in: Fixed a makefile + error. + +2006-07-06 17:33 hkmoffa + + * test_problems/cathermo/HMW_test_1/Makefile.in: Fixed an error. + +2006-07-06 17:28 hkmoffa + + * configure, configure.in: Added additional test directories. + +2006-07-06 17:28 hkmoffa + + * test_problems/cathermo/: Makefile.in, DH_graph_1/.cvsignore, + DH_graph_1/DH_NaCl.xml, DH_graph_1/DH_NaCl_NM.xml, + DH_graph_1/DH_NaCl_NM_blessed.csv, DH_graph_1/DH_NaCl_Pitzer.xml, + DH_graph_1/DH_NaCl_Pitzer_blessed.csv, + DH_graph_1/DH_NaCl_acommon.xml, + DH_graph_1/DH_NaCl_acommon_blessed.csv, + DH_graph_1/DH_NaCl_bdotak.xml, + DH_graph_1/DH_NaCl_bdotak_blessed.csv, + DH_graph_1/DH_NaCl_blessed.csv, DH_graph_1/DH_NaCl_dilute.xml, + DH_graph_1/DH_NaCl_dilute_blessed.csv, DH_graph_1/DH_graph_1.cpp, + DH_graph_1/Makefile.in, DH_graph_1/README, DH_graph_1/runtest: + Added the existing test for the DebyeHuckel object. + +2006-07-06 17:27 hkmoffa + + * Cantera/src/thermo/: DebyeHuckel.cpp, DebyeHuckel.h, + HMWSoln_input.cpp, Makefile.in: Added the DebyeHuckel object. + Note, this object needs a bit of work. It's not connected to the + real model of water yet. + +2006-07-06 14:54 hkmoffa + + * test_problems/cathermo/: Makefile.in, HMW_graph_GvI/Makefile.in, + HMW_test_1/.cvsignore, HMW_test_1/HMW_NaCl.xml, + HMW_test_1/HMW_test_1.cpp, HMW_test_1/Makefile.in, + HMW_test_1/README, HMW_test_1/output_blessed.txt, + HMW_test_1/runtest, HMW_test_3/.cvsignore, + HMW_test_3/HMW_NaCl_tc.xml, HMW_test_3/HMW_test_3.cpp, + HMW_test_3/Makefile.in, HMW_test_3/README, + HMW_test_3/output_blessed.txt, HMW_test_3/runtest: Added 2 tests + with debugging turned on. + +2006-07-06 14:13 hkmoffa + + * test_problems/cathermo/: Makefile.in, HMW_graph_GvI/.cvsignore, + HMW_graph_GvI/HMW_NaCl.xml, HMW_graph_GvI/HMW_graph_GvI.cpp, + HMW_graph_GvI/Makefile.in, HMW_graph_GvI/NaCl_Solid.xml, + HMW_graph_GvI/README, HMW_graph_GvI/T298_blessed.csv, + HMW_graph_GvI/T523_blessed.csv, HMW_graph_GvI/TemperatureTable.h, + HMW_graph_GvI/runtest, HMW_graph_GvI/sortAlgorithms.cpp, + HMW_graph_GvI/sortAlgorithms.h: Added the GvI test. + +2006-07-06 14:12 hkmoffa + + * test_problems/cathermo/HMW_graph_VvT/: .cvsignore, + HMW_NaCl_sp1977_alt.xml, HMW_graph_VvT.cpp, Makefile.in, + NaCl_Solid.xml, README, TemperatureTable.h, V_standalone.cpp, + output_blessed.txt, runtest, sortAlgorithms.cpp, + sortAlgorithms.h: Added the excess volume test. + +2006-07-06 14:00 hkmoffa + + * test_problems/cathermo/HMW_graph_CpvT/: .cvsignore, + Cp_standalone.cpp, HMW_NaCl_sp1977_alt.xml, HMW_graph_CpvT.cpp, + Makefile.in, NaCl_Solid.xml, README, TemperatureTable.h, + output_blessed.txt, runtest, sortAlgorithms.cpp, + sortAlgorithms.h: Added the Cp HMWSoln test. + +2006-07-06 13:13 hkmoffa + + * test_problems/cathermo/HMW_graph_HvT/: .cvsignore, + HMW_NaCl_sp1977_alt.xml, HMW_graph_HvT.cpp, L_standalone.cpp, + Makefile.in, NaCl_Solid.xml, README, TemperatureTable.h, + output_blessed.txt, runtest, sortAlgorithms.cpp, + sortAlgorithms.h: Added another test. + +2006-07-06 08:56 hkmoffa + + * test_problems/cathermo/Makefile.in: Added directory. + +2006-07-06 08:56 hkmoffa + + * test_problems/cathermo/HMW_graph_GvT/: .cvsignore, + Gex_standalone.cpp, HMW_NaCl_sp1977_alt.xml, HMW_graph_GvT.cpp, + Makefile.in, NaCl_Solid.xml, README, TemperatureTable.h, + output_blessed.txt, runtest, sortAlgorithms.cpp, + sortAlgorithms.h: Added unit test for HMWSoln. + +2006-07-06 08:41 hkmoffa + + * Cantera/src/thermo/electrolytes.h: Added general .h define file + +2006-07-06 08:40 hkmoffa + + * Cantera/src/: importCTML.cpp, importCTML.h: Added a utility + routine. + +2006-07-06 08:39 hkmoffa + + * Cantera/src/thermo/: HMWSoln.cpp, HMWSoln.h, HMWSoln_input.cpp, + IdealMolalSoln.cpp, IdealMolalSoln.h, Makefile.in, + MolalityVPSSTP.h: Added Pitzer Object + +2006-07-05 14:25 hkmoffa + + * configure, configure.in: Added another test directory makefile. + +2006-07-05 14:23 hkmoffa + + * test_problems/min_python/: Makefile.in, negATest/.cvsignore, + negATest/Makefile.in, negATest/negATest.cpp, + negATest/negATest_blessed.out, negATest/noxNeg.cti, + negATest/noxNeg_blessed.xml, negATest/runtest: Added another test + to add coverage to the ctml to xml treatment of neg A + coefficients. + +2006-07-05 07:35 hkmoffa + + * configure, configure.in: Added a couple of test directory + Makefiles that were ommitted. + +2006-07-03 18:11 hkmoffa + + * test_problems/cathermo/: Makefile.in, testWaterTP/.cvsignore, + testWaterTP/Makefile.in, testWaterTP/README, + testWaterTP/output_blessed.txt, testWaterTP/runtest, + testWaterTP/testWaterTP.cpp, testWaterTP/waterTPphase.xml: Added + a test for WaterTP + +2006-07-03 18:04 hkmoffa + + * configure, configure.in: Added another test directory. + +2006-07-03 18:04 hkmoffa + + * test_problems/cathermo/: Makefile.in, testWaterPDSS/.cvsignore, + testWaterPDSS/Makefile.in, testWaterPDSS/output_blessed.txt, + testWaterPDSS/runtest, testWaterPDSS/testWaterPDSS.cpp: Added a + test for WaterPDSS object. + +2006-07-03 17:41 hkmoffa + + * configure, configure.in: Added a couple more tests for + electrochemistry. + +2006-07-03 17:40 hkmoffa + + * test_problems/cathermo/Makefile.in: Added another test. + +2006-07-03 17:39 hkmoffa + + * test_problems/cathermo/testIAPWSTripP/: .cvsignore, Makefile.in, + README, output_blessed.txt, runtest, testTripleP.cpp: Triple + point calcultion test routine. + +2006-07-03 17:32 hkmoffa + + * test_problems/cathermo/testIAPWSPres/: .cvsignore, Makefile.in, + README, output_blessed.txt, runtest, testPress.cpp: Second test. + +2006-07-03 17:21 hkmoffa + + * test_problems/cathermo/: Makefile.in, testIAPWS/.cvsignore, + testIAPWS/Makefile.in, testIAPWS/README, + testIAPWS/output_blessed.txt, testIAPWS/runtest, + testIAPWS/testIAPWSphi.cpp: Added the first test for IAPWS + +2006-07-03 17:01 hkmoffa + + * Cantera/src/thermo/: IdealMolalSoln.cpp, Makefile.in, PDSS.cpp, + PDSS.h, WaterPDSS.cpp, WaterPDSS.h, WaterProps.cpp, WaterProps.h, + WaterPropsIAPWS.cpp, WaterPropsIAPWS.h, WaterPropsIAPWSphi.cpp, + WaterPropsIAPWSphi.h, WaterTP.cpp, WaterTP.h: First commit of + water properties routines. These are under-the-hood routines for + calculation of water electrolyte thermochemistry. + +2006-07-03 12:59 hkmoffa + + * test_problems/Makefile.in: Added a new test directory. + +2006-07-03 12:58 hkmoffa + + * test_problems/negATest/: .cvsignore, Makefile.in, negATest.cpp, + negATest_blessed.out, noxNeg.cti, noxNeg.xml, runtest: Added a + new test that captures negative A factors. + +2006-07-03 12:57 hkmoffa + + * configure, configure.in: Added a new test. + +2006-07-03 12:57 hkmoffa + + * Cantera/src/: RateCoeffMgr.h, RxnRates.h: Fix for negative + pre-exponential factors producing NaN rates of progress. This bug + was reported in the Cantera newsgroup. + + The fix consists of replacing Rc = exp ( mlogA + blogT - Ea / + RT) with Rc = A * exp (b logT - Ea/RT) + + Therefore, the log of A never has to be taken. + + Note, this also allows for a zero rate of progress for a + reaction. + + Consequences: The permissible range of the rate constant + values may be altered. Numerical roundoff differences will + occur, since the order of operations in key rate constant + evalulations has been changed. Speed of the calculation may + be affected. I have no idea which way. + + The fix should be considered as provisional. There are different + pathways for fixing this. This is merely the simplest. + +2006-07-03 12:41 hkmoffa + + * Cantera/src/importCTML.cpp: Added a couple of comments. + +2006-06-23 16:23 hkmoffa + + * Makefile.in: python=minimal fixes on cygwin + +2006-06-23 14:04 hkmoffa + + * examples/cxx/: .cvsignore, gri30.xml, kinetics_example1.cpp: + Added gri30.xml, so this example will work under the none python + option. + +2006-06-23 14:01 hkmoffa + + * test_problems/cathermo/Makefile.in: Fixed an error in the clean + rule. + +2006-06-23 13:35 hkmoffa + + * Cantera/src/: Phase.h, ThermoPhase.h: Doxygen fixes. + +2006-06-23 13:33 hkmoffa + + * tools/doc/: .cvsignore, Cantera.cfg.in, doxyinput/cxx-setup.txt, + doxyinput/equildemo.txt, doxyinput/thermodemo.txt, + doxyinput/winbuild.txt, html/.cvsignore: Additions to doxygen + documentation. Fixes to doxygen docs -> eliminated all of the + warnings and ommitted pages. + +2006-06-23 13:31 hkmoffa + + * Cantera/src/thermo/: IdealMolalSoln.cpp, IdealMolalSoln.h, + IdealSolidSolnPhase.cpp, IdealSolidSolnPhase.h, MolalityVPSSTP.h: + Doxygen formatting changes. + +2006-06-23 07:31 dggoodwin + + * Cantera/cxx/demos/combustor.cpp: added C++ combustor example + +2006-06-23 07:28 dggoodwin + + * Cantera/python/examples/reactors/combustor.py: added combustor + example + +2006-06-22 08:10 hkmoffa + + * test_problems/fracCoeff/: .cvsignore, frac.xml: Added frac.xml, + since this is now a required file. + +2006-06-22 06:47 hkmoffa + + * configure, configure.in: Fixed an error in figuring out what time + stamp program, tscompare, works on the current system. + +2006-06-22 06:43 hkmoffa + + * test_problems/diamondSurf/: .cvsignore, diamond.xml: Added the + diamond.xml file. It's now a prerequisite towards running the + problem. + +2006-06-20 17:00 hkmoffa + + * examples/cxx/equil_example1.cpp: Replaced silane.cti with + silane.xml so that it will work for python none installation. + +2006-06-20 16:52 hkmoffa + + * test_problems/cxx_ex/runtest: Commented out CANTERA_DATA + statement. On the x86-linux1 cf machine, this was causing the + test to crash for some reason. + +2006-06-20 16:16 hkmoffa + + * test_problems/cathermo/ims/output_blessed.txt: Took out spurious + output from the blessed file. + +2006-06-20 16:15 hkmoffa + + * Cantera/src/thermo/IdealMolalSoln.cpp: Took out a spurious print + statement. + +2006-06-20 16:11 hkmoffa + + * test_problems/fracCoeff/: fracCoeff.cpp, runtest: Made this test + work for python=none. + +2006-06-20 16:04 hkmoffa + + * configure.in: Added a few directories: min_python + +2006-06-20 16:03 hkmoffa + + * test_problems/: Makefile.in, min_python/.cvsignore, + min_python/Makefile.in, min_python/minDiamond/.cvsignore, + min_python/minDiamond/Makefile.in, + min_python/minDiamond/diamond.cti, + min_python/minDiamond/diamond_blessed.xml, + min_python/minDiamond/runDiamond.cpp, + min_python/minDiamond/runDiamond_blessed.out, + min_python/minDiamond/run_diamond.py, + min_python/minDiamond/runtest, min_python/minDiamond/tdia_a.py: + First cut at getting rid of the false bad test results for the + python = none option. min_python dir will include the minimal + python installation tests + +2006-06-20 15:48 hkmoffa + + * test_problems/diamondSurf/: diamond.cti, runDiamond.cpp, runtest: + changed the input file to diamond.xml, so that python="none" + installations will pass this test. + +2006-06-20 15:36 hkmoffa + + * test_problems/surfkin/surfdemo.cpp: Changed surfdemo.cpp to read + gri30.xml. Thus, this test will pass if python option is set to + none. + +2006-06-20 14:58 hkmoffa + + * configure.in, preconfig: Changed NUMARRAY_HOME so that it doesn't + have a default in preconfig. + + NUMARRAY_INC_DIR is now constructed from NUMARRAY_HOME in the + following prioritized way depending upon the existance of + directories: + + NUMARRAY_INC_DIR=$NUMARRAY_HOME/include/python2.4 + NUMARRAY_INC_DIR=$NUMARRAY_HOME/include/python2.3 + NUMARRAY_INC_DIR=$NUMARRAY_HOME/include/python + + Additionally, NUMARRAY_INC_DIR can now be input directly. + NUMARRAY_HOME is only used to set NUMARRAY_INC_DIR. + + Note, the new method now conforms to what the numarray installer + actually does. + +2006-06-20 06:56 hkmoffa + + * tools/testtools/csvdiff.cpp: Fixed compilation of this on a linux + platform in the compile farm. Didn't like declarations in a + switch statement. + +2006-06-19 16:25 hkmoffa + + * tools/doc/: .cvsignore, Cantera.cfg, Cantera.cfg.in, Makefile.in, + README, html/.cvsignore: Makde Cantera.cfg a configurable file. + Previously there were several hard coded paths in the file. + +2006-06-19 16:21 hkmoffa + + * configure.in, preconfig: Added the GRAPHVIZDIR variable to the + configure script. This is used to locate the dot executable, + when using doxygen. + +2006-06-19 16:19 hkmoffa + + * test_problems/cathermo/Makefile.in: Added a new test, ims. + +2006-06-19 16:19 hkmoffa + + * test_problems/cathermo/ims/: .cvsignore, IMSTester.cpp, + Makefile.in, WaterPlusSolutes.xml, output_blessed.txt, runtest: + Added a new test. + +2006-06-19 16:15 hkmoffa + + * Cantera/src/: global.h, misc.cpp: Reduced the number of doxygen + error messages. + +2006-06-19 16:14 hkmoffa + + * Cantera/src/thermo/: IdealMolalSoln.cpp, IdealMolalSoln.h, + Makefile.in, MolalityVPSSTP.cpp, MolalityVPSSTP.h: Added an + IdealMolalSoln object. + +2006-06-19 07:35 hkmoffa + + * Cantera/cxx/demos/: .cvsignore, Makefile.in: Added a .depends + rule + +2006-06-13 10:06 hkmoffa + + * Cantera/src/xml.cpp: changed the write_int() routine to produce + prettier output. + +2006-06-13 10:04 hkmoffa + + * Cantera/src/: ctml.h, ctml.cpp: Added comments to addFloatArray() + Corrected comments for procedure getInteger() getFloatArray(): + Added XML name checking. The default name is still + "getFloatArray". However, now other XML names are + acceptable. Changed atof() calls to atofCheck() Changed + the code so that a comma can be the last non-spaced character + in the value field. + +2006-06-13 09:11 hkmoffa + + * config.h.in, configure.in, preconfig: Added support for + conditional use of ideal solid solutions. + +2006-06-13 09:09 hkmoffa + + * test_problems/cathermo/issp/: .cvsignore, ISSPTester.cpp, + IdealSolidSolnPhaseExample.xml, Makefile.in, output_blessed.txt, + runtest: Added a test problem for ideal solid solutions. + +2006-06-13 09:07 hkmoffa + + * test_problems/cathermo/: .cvsignore, Makefile.in: Added + makefiles. + +2006-06-13 09:06 hkmoffa + + * test_problems/Makefile.in: Added a cathermo test directory. + +2006-06-13 09:05 hkmoffa + + * Cantera/src/Makefile.in: Added support for conditional + compilation of thermo directory. + +2006-06-13 09:04 hkmoffa + + * Cantera/src/importCTML.cpp: Changed importPhase to call + initThermoXML, not initThermo at the end of its execution. + +2006-06-13 09:03 hkmoffa + + * Cantera/src/State.h: Changed a few functions to be virtual, in + order to support incompressible equations of state. + +2006-06-13 09:02 hkmoffa + + * Cantera/src/thermo/: IdealSolidSolnPhase.cpp, + IdealSolidSolnPhase.h, Makefile.in, MolalityVPSSTP.cpp, + MolalityVPSSTP.h, VPStandardStateTP.cpp, VPStandardStateTP.h: + Added an IdealSolidSolnPhase capability. Changed existing thermo + files to use initThermoXML(). + +2006-06-13 08:26 hkmoffa + + * tools/testtools/csvdiff.cpp: Added an atol and rtol command-line + capability. It also does more for comparisons with unequal rows. + +2006-06-12 17:57 hkmoffa + + * Cantera/src/InterfaceKinetics.h: Fixed a typo + +2006-06-12 17:24 hkmoffa + + * Cantera/src/LatticeSolidPhase.h: Fixed an error mentioned in the + Cantera newsgroup. + +2006-06-12 17:20 hkmoffa + + * Cantera/src/ThermoPhase.h: Added the function + getPartialMolarCp(). It isn't currently in the API, but it should + be. + +2006-06-12 17:19 hkmoffa + + * Cantera/src/Elements.cpp: Fixed a minor case which resulted in a + core dump. + +2006-06-11 04:36 dggoodwin + + * Cantera/python/examples/flames/fixed_T_flame.py: minor changes + +2006-06-10 10:15 dggoodwin + + * Cantera/python/examples/flames/: tdata.csv, tdata.dat: changed + tdata.csv to tdata.dat + +2006-06-10 10:07 dggoodwin + + * Cantera/python/examples/flames/: fixed_T_flame.py, tdata.csv: + added fixed T flame example + +2006-06-08 07:05 hkmoffa + + * Cantera/src/StoichSubstance.h: Fixed a typo and added + getStandardVolumes() routine. + +2006-05-31 11:06 dggoodwin + + * configure, configure.in, Cantera/python/ctml_writer.py: added + LatticePhase to configure.in + +2006-05-27 16:34 hkmoffa + + * Cantera/src/SpeciesThermoFactory.cpp: used popError() on two + cases where errors are caught and delt with. + +2006-05-18 16:18 dggoodwin + + * win32/vc7/zeroD/zeroD.vcproj: added ConstPressureReactor to win32 + project + +2006-05-17 10:43 dggoodwin + + * configure.in, preconfig, ext/f2c_libs/Makefile.in, + ext/f2c_libs/arith.h: misc + +2006-05-17 08:59 dggoodwin + + * examples/cxx/kinetics_example3.cpp: initial import + +2006-05-17 08:16 dggoodwin + + * Cantera/src/zeroD/: ReactorFactory.cpp, ReactorFactory.h: initial + import + +2006-05-07 14:17 dggoodwin + + * Cantera/clib/src/ctreactor.cpp: added support for const pressure + and flow reactors + +2006-05-06 08:34 dggoodwin + + * Cantera/: clib/src/ctreactor.cpp, cxx/include/zerodim.h, + python/Cantera/Reactor.py, src/CVodesIntegrator.cpp, + src/CVodesIntegrator.h, src/FuncEval.h, src/Makefile.in, + src/Mu0Poly.h, src/NasaPoly1.h, src/ShomatePoly.h, + src/StoichManager.h, src/importCTML.h, + src/transport/MixTransport.cpp: support for constant-pressure + reactors + +2006-05-06 08:32 dggoodwin + + * Cantera/python/examples/reactors/piston.py: initial import + +2006-05-06 07:56 dggoodwin + + * Cantera/src/zeroD/: ConstPressureReactor.cpp, + ConstPressureReactor.h, FlowReactor.cpp, Reactor.cpp, Reactor.h, + ReactorBase.cpp, ReactorBase.h: added constant pressure reactor + +2006-05-03 19:13 dggoodwin + + * configure, test_problems/Makefile.in, + tools/src/finish_install.py.in: support for Python-free + environments + +2006-05-03 13:49 dggoodwin + + * Cantera/src/ct2ctml.cpp: Windows has no sleep command + +2006-05-03 12:45 dggoodwin + + * Cantera/: clib/src/ct.cpp, clib/src/ct.h, + python/src/ctthermo_methods.cpp, python/ctml_writer.py, + python/Cantera/Interface.py, python/Cantera/ThermoPhase.py, + src/GeneralSpeciesThermo.cpp, src/GeneralSpeciesThermo.h, + src/Mu0Poly.cpp, src/NasaThermo.h, src/SpeciesThermo.h, + src/SpeciesThermoFactory.cpp, src/SpeciesThermoFactory.h, + src/SpeciesThermoInterpType.h, src/State.cpp, src/State.h, + src/thermo/MolalityVPSSTP.cpp, src/thermo/VPStandardStateTP.cpp, + src/transport/TransportBase.h: added electric potential + +2006-05-03 11:12 hkmoffa + + * examples/cxx/equil_example1.cpp: Changed the initial condition + slightly. This was to avoid a problem with convergence that + occurred in the chemical equilibrium solver. + +2006-05-03 11:07 hkmoffa + + * test_problems/cxx_ex/: eq1_blessed.csv, eq1_blessed.dat: + Rebaselined the blessed state, due to a small change in initial + conditions. + +2006-05-03 02:51 dggoodwin + + * configure.in: moved uname -i statement + +2006-05-01 16:04 dggoodwin + + * Cantera/matlab/cantera/: @ThermoPhase/setElectricPotential.m, + @ThermoPhase/electricPotential.m, importEdge.m: initial import + +2006-05-01 16:03 dggoodwin + + * Cantera/matlab/cantera/private/thermomethods.cpp: added functions + to set and get the electric potential of a phase + +2006-05-01 15:36 hkmoffa + + * configure.in: Added the ext/recipes/Makefile file to the list of + makefiles. Somehow, it wasn't in the list. + +2006-05-01 08:51 hkmoffa + + * Makefile.in: Tracked down a bug in the make system to cxxlib. + Need to make all at the Cantera/cxx level in order to copy + include files over to the build/include directory tree. + +2006-04-30 16:43 hkmoffa + + * .cvsignore: Added some config log files to this file. + +2006-04-30 16:29 hkmoffa + + * bin/: tscompare, tscompare_alwaystrue, tscompare_csh, + tscompare_ksh, tscompare_sh: Added tscompare files. + +2006-04-30 16:14 hkmoffa + + * examples/cxx/Makefile.in: Solaris port: added SunWS_cache to + clean rule + +2006-04-30 16:13 hkmoffa + + * tools/testtools/Makefile.in: Took out extraneous statements. + +2006-04-30 16:13 hkmoffa + + * tools/src/Makefile.in: Solaris port commits. + +2006-04-30 16:11 hkmoffa + + * ext/f2c_libs/Makefile.in: Solaris changes. + +2006-04-30 16:10 hkmoffa + + * Cantera/python/: Makefile.in, ctml_writer.py, setup.py.in: + Solaris port changes. + +2006-04-30 16:09 hkmoffa + + * bin/install_tsc.in: changed INSTALL to INSTALL_abs + +2006-04-30 16:08 hkmoffa + + * .cvsignore: Added files. + +2006-04-30 16:07 hkmoffa + + * configure, Cantera.README, Makefile.in, config.h.in, + configure.in, preconfig: Solaris Port: the config/configure.in + file has been pushed up one directory. The + previous configure file is now called preconfig. + +2006-04-30 16:03 hkmoffa + + * config/install-sh: Solaris port: Changing directory structure to + put configure.in in top directory. + +2006-04-30 15:33 hkmoffa + + * ext/Makefile.in: Added recipes to clean directories. + +2006-04-30 15:32 hkmoffa + + * ext/f2c_lapack/Makefile.in: Took out duplicates. + +2006-04-30 15:23 hkmoffa + + * Cantera/: cxx/demos/.cvsignore, fortran/src/.cvsignore: Added + SunWS_cache + +2006-04-30 15:22 hkmoffa + + * Cantera/clib/src/.cvsignore: Added SuNWS_cache + +2006-04-30 15:20 hkmoffa + + * Cantera/cxx/Makefile.in: Fixed an error in INCDIR definition. + +2006-04-30 15:17 hkmoffa + + * Cantera/cxx/include/: IdealGasMix.h, PureFluid.h: Made ready() a + const function, + +2006-04-30 15:15 hkmoffa + + * Cantera/fortran/src/Makefile.in: Solaris: SunWS_cache handling + +2006-04-30 15:13 hkmoffa + + * Cantera/cxx/demos/Makefile.in: Solaris changes + +2006-04-30 15:10 hkmoffa + + * Cantera/cxx/src/: .cvsignore, Makefile.in: Solaris changes + SunWS_cache handling + +2006-04-30 15:08 hkmoffa + + * Cantera/src/ct_defs.h: Changed math.h to cmath + +2006-04-30 15:08 hkmoffa + + * Cantera/: src/.cvsignore, clib/src/Makefile.in: Added SunWS_cache + +2006-04-30 15:07 hkmoffa + + * Cantera/src/CVode.cpp: Added Id line + +2006-04-30 15:05 hkmoffa + + * Cantera/src/ct2ctml.cpp: More sleep commands needed for system + calls for solaris + +2006-04-30 15:03 hkmoffa + + * Cantera/src/stringUtils.cpp: don't need ctypes.h + +2006-04-30 15:00 hkmoffa + + * Cantera/src/converters/: Makefile.in, ck2ct.cpp, ck2ct.h: Solaris + changes: use cstdlib not stdlib.h + +2006-04-30 14:43 hkmoffa + + * test_problems/: surfkin/.cvsignore, surfkin/Interface.h, + surfkin/Makefile.in, silane_equil/.cvsignore, + silane_equil/IdealGasMix.h: Solaris changes. + +2006-04-30 14:37 hkmoffa + + * test_problems/diamondSurf/run_diamond.py: Fixed typo. + +2006-04-30 14:36 hkmoffa + + * test_problems/diamondSurf/: .cvsignore, Makefile.in: Additions + for solaris. + +2006-04-30 14:20 hkmoffa + + * Cantera/src/Makefile.in: Added the logger.h file. + +2006-04-30 13:21 hkmoffa + + * ext/Makefile.in: Uses the build_f2c_lib variable. + +2006-04-30 12:58 hkmoffa + + * Cantera/cxx/include/Cantera.h: Added logger.h to this file. + +2006-04-30 12:57 hkmoffa + + * Cantera/cxx/include/GRI30.h: Changed the #ifndef line so that it + is unique. + +2006-04-30 12:56 hkmoffa + + * Cantera/cxx/include/kinetics.h: Added a couple more include + kinetics files. + +2006-04-30 12:54 hkmoffa + + * Cantera/cxx/include/thermo.h: Changed a comments section. + +2006-04-30 12:54 hkmoffa + + * Cantera/cxx/include/PureFluid.h: Added Id field. + +2006-04-30 11:08 hkmoffa + + * .cvsignore: Added the file set_cant_env + +2006-04-30 11:06 hkmoffa + + * test_problems/: Makefile.in, cxx_ex/Makefile.in, + fracCoeff/.cvsignore, fracCoeff/Makefile.in, fracCoeff/frac.cti, + fracCoeff/fracCoeff.cpp, fracCoeff/frac_blessed.out, + fracCoeff/frac_blessed.xml, fracCoeff/runtest: Added a new test + that pretty much mimics the frac python test. It does add tests + for the calculation of equilibrium constants for fractional + coefficient reactions. + +2006-04-30 11:01 hkmoffa + + * Cantera/src/: EdgeKinetics.cpp, GasKinetics.cpp, GasKinetics.h, + InterfaceKinetics.cpp, Kinetics.h, Phase.cpp: Fixed an error in + the GasKinetics object that occurred for calculating equilibrium + constants for reactions with fractional stoichiometric + coefficients. The member data m_dn[] was being calculated + incorrectly for theses cases and then used in the calculation of + the equilibrium constant. m_dn[] now correctly evaluates the + difference in rxn order between the reactants and products for + fraction coefficient reactions. + +2006-04-29 17:14 dggoodwin + + * Makefile.in, configure, config/configure.in: added capability to + build without Python. Features requiring Python in the build + process (Python and MATLAB interfaces) are skipped, and Python + tests are skipped also. + +2006-04-29 03:45 dggoodwin + + * Cantera/src/thermo/: MolalityVPSSTP.cpp, MolalityVPSSTP.h, + SingleSpeciesTP.cpp, VPStandardStateTP.cpp, VPStandardStateTP.h: + changed from using ctvector to using std::vector. Required + replacing v.begin() in many places by &v[0]. Macro DATA_PTR(v) + defined for readability. + +2006-04-28 10:22 dggoodwin + + * Cantera/cxx/demos/flamespeed.cpp, Cantera/cxx/src/cxxutils.cpp, + Cantera/src/Array.h, Cantera/src/BandMatrix.cpp, + Cantera/src/CVodesIntegrator.cpp, Cantera/src/ChemEquil.cpp, + Cantera/src/ConstDensityThermo.cpp, Cantera/src/DenseMatrix.cpp, + Cantera/src/EdgeKinetics.cpp, Cantera/src/EdgeKinetics.h, + Cantera/src/GRI_30_Kinetics.cpp, Cantera/src/GRI_30_Kinetics.h, + Cantera/src/GasKinetics.cpp, Cantera/src/GasKinetics.h, + Cantera/src/Group.h, Cantera/src/IdealGasPhase.cpp, + Cantera/src/IdealGasPhase.h, Cantera/src/ImplicitSurfChem.cpp, + Cantera/src/InterfaceKinetics.cpp, + Cantera/src/InterfaceKinetics.h, + Cantera/src/LatticeSolidPhase.cpp, Cantera/src/Makefile.in, + Cantera/src/Mu0Poly.cpp, Cantera/src/MultiPhase.cpp, + Cantera/src/MultiPhaseEquil.cpp, Cantera/src/NasaPoly2.h, + Cantera/src/NasaThermo.h, Cantera/src/Phase.cpp, + Cantera/src/ReactionPath.cpp, Cantera/src/ShomatePoly.h, + Cantera/src/ShomateThermo.h, + Cantera/src/SpeciesThermoFactory.cpp, Cantera/src/State.cpp, + Cantera/src/State.h, Cantera/src/StoichSubstance.cpp, + Cantera/src/SurfPhase.cpp, Cantera/src/ct_defs.h, + Cantera/src/funcs.cpp, Cantera/src/importCTML.cpp, + Cantera/src/phasereport.cpp, Cantera/src/utilities.h, + Cantera/src/converters/Makefile.in, + Cantera/src/converters/ckr_defs.h, Cantera/src/oneD/Domain1D.h, + Cantera/src/oneD/MultiJac.cpp, Cantera/src/oneD/MultiNewton.cpp, + Cantera/src/oneD/OneDim.cpp, Cantera/src/oneD/Sim1D.cpp, + Cantera/src/oneD/Sim1D.h, Cantera/src/oneD/StFlow.cpp, + Cantera/src/oneD/boundaries1D.cpp, + Cantera/src/transport/DustyGasTransport.cpp, + Cantera/src/transport/MMCollisionInt.cpp, + Cantera/src/transport/Makefile.in, + Cantera/src/transport/MixTransport.cpp, + Cantera/src/transport/MultiTransport.cpp, + Cantera/src/transport/TransportFactory.cpp, + Cantera/src/zeroD/FlowReactor.cpp, Cantera/src/zeroD/Reactor.cpp, + Cantera/src/zeroD/ReactorBase.h, + Cantera/src/zeroD/ReactorNet.cpp, Cantera/src/zeroD/Wall.cpp, + test_problems/surfkin/surfdemo.cpp, Cantera/src/CVode.cpp: + changed from using ctvector to using std::vector. Required + replacing v.begin() in many places by &v[0]. Macro DATA_PTR(v) + defined for readability. + +2006-04-27 15:47 hkmoffa + + * Cantera/src/CVode.cpp: Took out 2 print statements, that was + causing the diamond test to fail. + +2006-04-27 14:39 hkmoffa + + * configure: Changed the environmental variable, WITH_ELECTROLYTES, + so that it can be set from a preconfig routine. + +2006-04-25 02:52 dggoodwin + + * Cantera/src/Array.h: changed doublereal* to iterator in axpy + +2006-04-23 00:27 dggoodwin + + * Cantera/python/Cantera/Edge.py: initial import + +2006-04-23 00:24 dggoodwin + + * Cantera/src/oneD/Makefile.in: added missing Domain1D.cpp + +2006-04-22 23:41 dggoodwin + + * config/: configure, configure.in: cleaned up configure.in + +2006-04-19 13:46 hkmoffa + + * Cantera/python/Makefile.in: Added quotes around some variables. + This is necessary if the variables have spaces in them in order + for the values to be propagated correctly to the Makefile + variables. + +2006-04-19 13:44 hkmoffa + + * ext/f2c_libs/Makefile.in: Added a ldemulation arg to the strip + command. This is necessary when compiling 32 bit on a 64 bit + linux box. + +2006-03-07 12:59 hkmoffa + + * Cantera/src/transport/: .cvsignore, MMCollisionInt.h, + Makefile.in: Changed the name of some arguments that conflicted + with names of member data. This created a warning message on + Solaris. + +2006-03-07 12:52 hkmoffa + + * Cantera/src/oneD/: .cvsignore, Domain1D.h, Inlet1D.h, + Makefile.in, Resid1D.h, Sim1D.cpp, Sim1D.h, StFlow.h: Solaris + sunpro compilers gave a warning about virtual functions in the + same class which have the same name, but which have different + arguments. Solaris complains when virtual functions are + hidden, when they are overloaded. + +2006-03-07 12:49 hkmoffa + + * Cantera/src/oneD/boundaries1D.cpp: const needed for proper + virtual inheritance + +2006-03-07 12:47 hkmoffa + + * Cantera/src/oneD/refine.cpp: Solaris warns about templated static + functions. + +2006-03-05 16:07 hkmoffa + + * test_problems/python/runtest: Quotation marks are needed on + Solaris + +2006-03-05 15:55 hkmoffa + + * Cantera/cxx/include/GRI30.h: Changed the defn of a function to + agree with underlying virtual function. + +2006-03-05 15:52 hkmoffa + + * test_problems/silane_equil/Makefile.in: Added deletion of sun + cache directory + +2006-03-03 15:21 hkmoffa + + * ext/tpx/: CarbonDioxide.cpp, CarbonDioxide.h, HFC134a.cpp, + HFC134a.h, Heptane.cpp, Heptane.h, Hydrogen.cpp, Hydrogen.h, + Methane.cpp, Methane.h, Nitrogen.cpp, Nitrogen.h, Oxygen.cpp, + Oxygen.h, RedlichKwong.h, Sub.h, Water.cpp, Water.h, lk.cpp, + lk.h: solaris warned about string literals being assigned to char + *. So, I changed it so that the species name is storred within + the object. + +2006-03-03 14:44 hkmoffa + + * ext/: lapack/Makefile.in, recipes/Makefile.in: Took duplicate out + of F77FLAGS statement. + +2006-03-03 14:43 hkmoffa + + * ext/Makefile.in: Fixed f2c so that it's only compiled when the + option is turned on. + +2006-03-03 14:04 hkmoffa + + * Cantera/src/converters/.cvsignore: Added a file + +2006-03-03 14:02 hkmoffa + + * Cantera/src/ReactionPath.h: An argument hid a member function + name. I Changed the argument variable name. + +2006-03-03 14:00 hkmoffa + + * Cantera/src/: zeroD/.cvsignore, zeroD/Makefile.in, + thermo/.cvsignore, thermo/Makefile.in: Added SunWS_cache deletion + +2006-03-03 13:57 hkmoffa + + * Cantera/src/ReactionPath.cpp: An argument conflicted with a + member variable. I changed the name of the argument variable. + +2006-03-03 13:11 hkmoffa + + * Cantera/src/: PureFluidPhase.cpp, PureFluidPhase.h: Changed the + defn of two functions who were missing const declarations. These + were const in Thermophase.h, and for proper inheritance, they + need to be the same in derived classes. + +2006-03-03 12:39 hkmoffa + + * ext/blas/Makefile.in: Took out duplicate flags + +2006-03-03 12:31 hkmoffa + + * ext/math/: Makefile.in, dgbfa.f: Added the file dgbfa.f Took out + duplicate FFLAGS statement. + +2006-03-03 10:17 hkmoffa + + * tools/src/.cvsignore: Added the SunWS_cache directory. + +2006-03-03 10:03 hkmoffa + + * config/: configure, configure.in: This is the start of trying to + handle 32 bit vs. 64 bit compilation on select platforms. For + example, on linux you can compile 32 bit and 64 bit if the os and + hardware can handle 64 bits. In many cases you want to stick to + 32 bit compilations. One reason is that python may only be set up + for 32 bit add-on modules. e.g see the SIZEOF_VOID_P defn in + pyconfig.h + + So, I added BITCOMPILE BITHARDWARE, and BITCHANGE variables I + also added the variable ldemulationarg, because it's needed in + one case for 32 bit compilations on 64 bit linux boxes. + + Later I will add the default compiler flags that make this 32 bit + compilation work. Now they are brought in through a prep script. + +2006-03-03 08:44 hkmoffa + + * ext/math/: Makefile.in, dgbefa.f, dgbfa.f: Replaced the file + dgbefa.f with dgbfa.f. The later is used in other math routines. + +2006-03-03 08:42 hkmoffa + + * config/configure.in: EXTRA_LINK can now come in with a default + value. Am using this for the 32 bit compile on a 64 bit linux + operating system. + +2006-03-03 08:37 hkmoffa + + * test_problems/python/: .cvsignore, README, flame1_blessed.csv, + flame1_blessed_linux.csv, frac.py, runtest: Rebaselined the + problem. The number of points changed from 104 to 105 points. + However, the solution stayed just about the same. + +2006-03-03 07:33 hkmoffa + + * test_problems/ck2cti_test/: .cvsignore, runtest.in: Added files + to the ignore list. + +2006-03-03 07:29 hkmoffa + + * test_problems/diamondSurf/: Makefile.in, runDiamond.cpp: Fixed + this test so that it can work in the srcdirtree environment. + +2006-03-03 07:27 hkmoffa + + * test_problems/cxx_ex/: Makefile.in, gri30.xml, kin1_blessed.csv, + silane.xml: Rebaselined the kin1 problem after taking a close + look at the results. At one time plane, a couple of the radicals + concentrations changed at the ~5.0E-3 level. This seems to be a + nontrivial change, however, I this we should let it pass. I + sense this problem could be made more stable if the nonlinear + convergence requirements were made a lot stricter, while + maintaining the same time step truncation error tolerances. + +2006-03-03 07:21 hkmoffa + + * test_problems/silane_equil/: IdealGasMix.h, Makefile.in, + output_blessed.txt, silane.xml, silane_equil.cpp: updated the + test to ensure that it works from the srcdirtree. + +2006-03-03 06:43 hkmoffa + + * test_problems/surfkin/: Interface.h, Makefile.in, surfdemo.cpp: + Fixed the program so that it can be run from srcdirtree and + install tree + +2006-02-24 15:24 hkmoffa + + * Cantera/clib/src/ctonedim.cpp: Fixed a warning message about + getting to the end of a int function without a return. + +2006-02-24 15:22 hkmoffa + + * Cantera/clib/src/ct.cpp: Fixed a warning message about no return + from a double function. + +2005-12-18 22:10 dggoodwin + + * Cantera/python/ctml_writer.py: added size attribute to species + class + +2005-12-15 09:07 dggoodwin + + * Cantera/src/GasKinetics.cpp: added statements to + getEquilibriumConstants to force a T update on the next call. + Array m_rkcn was being left containing incorrect data. Problem is + now fixed. + +2005-12-09 09:49 dggoodwin + + * configure, Cantera/clib/src/ct.cpp, Cantera/clib/src/ct.h, + Cantera/python/Cantera/ThermoPhase.py, + Cantera/python/Cantera/liquidvapor.py, + Cantera/src/PureFluidPhase.cpp, Cantera/src/PureFluidPhase.h, + Cantera/src/ThermoPhase.h, Cantera/src/phasereport.cpp, + Cantera/src/converters/CKParser.cpp: removed critical and + saturation properties from ThermoPhase + +2005-12-06 19:34 dggoodwin + + * Cantera/python/examples/reactors/sensitivity1.py: initial import + +2005-12-06 11:23 dggoodwin + + * config/: configure, configure.in: fixed sundials test + +2005-12-05 10:36 dggoodwin + + * Cantera/: matlab/cantera/examples/catcomb.m, + python/Cantera/OneD/onedim.py, src/oneD/Domain1D.h, + src/oneD/MultiNewton.cpp: minor changes + +2005-11-26 08:08 dggoodwin + + * configure, Cantera/clib/src/ctreactor.cpp, + Cantera/python/Cantera/Reactor.py, + Cantera/src/CVodesIntegrator.cpp, + Cantera/src/zeroD/FlowReactor.h, Cantera/src/zeroD/ReactorBase.h, + Cantera/src/zeroD/ReactorNet.cpp, Cantera/src/zeroD/ReactorNet.h, + config/configure, config/configure.in, + tools/templates/f77/demo.mak.in, tools/templates/f90/demo.mak.in: + misc minor fixes + +2005-11-22 17:19 dggoodwin + + * Cantera/python/Cantera/ThermoPhase.py: fixed error in + restoreState + +2005-11-22 09:59 dggoodwin + + * Cantera/cxx/demos/kinetics1.cpp, Cantera/src/FalloffFactory.cpp, + Cantera/src/FalloffFactory.h, Cantera/src/GasKinetics.cpp, + Cantera/src/Integrator.h, Cantera/src/KineticsFactory.cpp, + Cantera/src/KineticsFactory.h, + Cantera/src/SpeciesThermoFactory.cpp, + Cantera/src/SpeciesThermoFactory.h, + Cantera/src/SpeciesThermoMgr.h, Cantera/src/State.cpp, + Cantera/src/StoichManager.h, Cantera/src/ThermoFactory.cpp, + Cantera/src/ThermoFactory.h, Cantera/src/ThirdBodyMgr.h, + Cantera/src/misc.cpp, Cantera/src/units.h, + Cantera/src/utilities.h, Cantera/src/vec_functions.h, + Cantera/src/transport/TransportFactory.cpp, + Cantera/src/transport/TransportFactory.h, + test_problems/silane_equil/Makefile.in, + test_problems/surfkin/Makefile.in, tools/src/Makefile.in, + tools/src/ctlibsample.mak.in, tools/src/sample.mak.in, + tools/src/sample_f90.mak.in, tools/testtools/Makefile.in: changed + some variable names to eliminate leading ddouble (and some + single) underscores + +2005-11-22 05:23 dggoodwin + + * win32/vc7/cantera/cantera.vcproj: updated + +2005-11-18 00:21 dggoodwin + + * ext/tpx/Sub.cpp: added check in set_xy for density == Undef but T + != Undef. Failure to check for this condition had resulted in + convergence to the wrong root for Hydrogen. + +2005-11-14 10:49 hkmoffa + + * Cantera/src/thermo/: Makefile.in, MolalityVPSSTP.cpp, + MolalityVPSSTP.h, StoichSubstanceSSTP.h, VPStandardStateTP.cpp, + VPStandardStateTP.h: Added a few more files to handle liquid + electrochemistry thermo. + +2005-11-14 10:47 hkmoffa + + * Cantera/src/: ThermoPhase.h, ThermoPhase.cpp: Added two sets of + functions One, InitThermoFromXML() and InitThermoFromFile() + initializes ThermoPhase objects from XML data trees. The second + set, which is incomplete, works to create a duplication + capability for ThermoPhase objects, using the function, + duplMyselfAsThermoPhase(). + +2005-11-14 10:41 hkmoffa + + * Cantera/src/: Phase.cpp, Phase.h: Addec copy constructor and + assignment operator. + +2005-11-13 03:15 dggoodwin + + * Cantera/src/: CVodesIntegrator.cpp, InterfaceKinetics.cpp, + misc.cpp: removed some diagnostic output + +2005-11-10 07:06 dggoodwin + + * Cantera/src/: CVode.cpp, CVodesIntegrator.cpp, + CVodesIntegrator.h, ChemEquil.cpp, EdgeKinetics.cpp, + FalloffMgr.h, Func1.h, FuncEval.h, GRI_30_Kinetics.cpp, + ImplicitChem.cpp, ImplicitChem.h, ImplicitSurfChem.cpp, + ImplicitSurfChem.h, Integrator.h, Makefile.in, MultiPhase.cpp, + NasaPoly1.h, NasaThermo.h, ODE_integrators.cpp, ReactionPath.cpp, + ReactionPath.h, SpeciesThermoFactory.cpp, ThermoPhase.cpp, + ctvector.h, misc.cpp, transport/SolidTransport.cpp, + transport/TransportBase.h: support for sensitivity analysis + +2005-11-10 07:02 dggoodwin + + * Cantera/src/zeroD/: FlowReactor.h, FlowReactor.cpp: initial + import + +2005-10-31 08:29 dggoodwin + + * Cantera/src/SimpleThermo.h: corrected bug that caused problems if + this SpeciesThermo manager was used in conjunction with another + one (e.g. NASA). + +2005-10-31 08:06 hkmoffa + + * Cantera/src/ChemEquil.cpp: Eliminated 2 unused variables. + +2005-10-28 21:22 dggoodwin + + * Cantera/matlab/cantera/gaussian.m: initial import + +2005-10-28 16:16 hkmoffa + + * Cantera/src/: GeneralSpeciesThermo.cpp, + SpeciesThermoInterpType.h, thermo/SingleSpeciesTP.cpp: Added a + virtual destructor for SpeciesThermoInterpType.h. Without it, + there is a memory leak. + +2005-10-24 15:13 hkmoffa + + * Cantera/src/thermo/SingleSpeciesTP.cpp: Forgot the member + function getCp_R_ref() in the previous commit. This commit adds + that function. + +2005-10-24 14:57 hkmoffa + + * Cantera/cxx/include/thermo.h: Added the new file. + +2005-10-24 14:52 hkmoffa + + * Cantera/src/thermo/: Makefile.in, SingleSpeciesTP.cpp, + SingleSpeciesTP.h, StoichSubstanceSSTP.cpp, + StoichSubstanceSSTP.h: Added an example of SingleSpeciesTP, + called StoichSubstanceSSTP, which does the same thing as the + StoichSubstance in the previous directory. Put more + functionality in the SingleSpeciesTP level; it now evaluates the + reference polynomials. + +2005-10-24 14:38 hkmoffa + + * Cantera/src/ThermoPhase.h: Moved the getStandardChemPotentials() + routine to the standard state functions member group. + +2005-10-24 11:03 hkmoffa + + * Cantera/cxx/include/thermo.h: Added a thermo.h file to the cxx + directory. This file is analogous to the transport.h file. + +2005-10-24 10:03 hkmoffa + + * Cantera/src/ThermoPhase.h: Moved the getActivities and + getActivityCoefficients() functions to the activities member + group. + +2005-10-24 09:41 dggoodwin + + * Cantera/src/: ODE_integrators.cpp, CVodesIntegrator.h, + CVodesIntegrator.cpp: initial import + +2005-10-24 08:39 hkmoffa + + * Cantera/src/: State.h, State.cpp: Added the copy constructor and + assignment operator. + +2005-10-21 17:53 hkmoffa + + * Cantera/src/importCTML.cpp: Generalization of the getStick() + routine, to include the case where you have bulk reactants as + well as surface reactants and a single gas phase reactant. + +2005-10-21 17:35 hkmoffa + + * Cantera/src/MultiPhase.h: Added cvs information to the file. + +2005-10-21 17:29 hkmoffa + + * Cantera/src/Makefile.in: Missed a .h file in the last commit. + +2005-10-21 17:18 hkmoffa + + * Cantera/src/: ConstCpPoly.cpp, ConstCpPoly.h, + GeneralSpeciesThermo.cpp, GeneralSpeciesThermo.h, Makefile.in, + Mu0Poly.cpp, Mu0Poly.h, NasaPoly1.h, NasaPoly2.h, NasaThermo.h, + ShomatePoly.h, ShomateThermo.h, SimpleThermo.h, SpeciesThermo.h, + SpeciesThermoFactory.cpp, SpeciesThermoInterpType.h, + SpeciesThermoMgr.h, speciesThermoTypes.h: General commit for a + reworking of the Species reference state thermo calculation. This + is a reclarification of the reference state thermo calculations + for individual species, and an expansion to handle liquid phase + thermo needs. + + There is now a virtual base class for the calculation of + reference state thermo functions for individual species. It is + called SpeciesThermoInterpType. + + There is also a class which allows for a complete general + calculation of the reference state species thermo for a phase, + GeneralSpeciesThermo. + + Some of this new functionality may be relegated to ifdef blocks + in the future to limit the amount of code for users who don't + need the new functionality. + +2005-10-21 15:44 hkmoffa + + * Cantera/src/reaction_defs.h: Added cvs info for this file. + +2005-10-21 15:41 hkmoffa + + * Cantera/src/IdealGasPhase.h: Fixed an error in the doxygen + comments that caused my version of doxygen to segfault. This was + caused by member groups not having a closing bracket. + +2005-10-21 15:25 hkmoffa + + * Cantera/src/: IdealGasPhase.cpp, IdealGasPhase.h: Filled out 2 + missing functions to this ThermoPhase object: getIntEnergy_RT() + and getIntEnergy_RT_ref(). + +2005-10-21 15:16 hkmoffa + + * Cantera/src/ThermoPhase.h: Added a detailed doxygen member + function description. + +2005-10-21 15:15 hkmoffa + + * Cantera/src/StoichSubstance.h: Added more documentation to + doxygen. + +2005-10-21 14:57 hkmoffa + + * Cantera/src/StoichSubstance.h: Added 3 missing member functions. + Note, this class is still not complete; it's missing the ref + functions. + +2005-10-21 14:42 hkmoffa + + * Cantera/src/Kinetics.h: Changed some comments so that they + reflect the correct units. + +2005-10-21 14:39 hkmoffa + + * Cantera/src/misc.cpp: Added entries to the errorhandling group in + the doxygen documentation. + +2005-10-21 14:38 hkmoffa + + * Cantera/src/Constituents.h: Eliminated a doxygen warning message. + Also, took out the log file entry. + +2005-10-21 14:35 hkmoffa + + * Cantera/src/ctexceptions.h: Just changed the comments. Added an + errorhandling group to group together functions and classes + dealing with error handling in the doxygen output. + +2005-10-21 14:28 hkmoffa + + * Cantera/src/units.h: Added the unit 'gmol' to the list of + recognized units. Added more accuracy to the eV unit. + +2005-10-21 11:23 hkmoffa + + * Cantera/src/: Constituents.cpp, Constituents.h: Added a copy + constructor and an assignment operator. + +2005-10-21 09:18 hkmoffa + + * Cantera/src/: ThermoPhase.cpp, ThermoPhase.h: Added a routine to + the ThermoPhase specification: activityConvention(). This has a + default value of molar-based. The other option is molality based. + +2005-10-21 08:51 hkmoffa + + * .cvsignore: Added the file config.h to this list. It's a + generated file. + +2005-10-20 17:57 dggoodwin + + * Cantera/python/examples/gasdynamics/soundSpeeds.py: initial + import + +2005-10-20 16:33 hkmoffa + + * config.h.in: Added a compilation define when electrolytes are + included. + +2005-10-20 16:31 hkmoffa + + * config/configure.in: Added support for compiling the src/thermo + directory. + +2005-10-20 16:30 hkmoffa + + * configure: Added the WITH_ELECTROLYTE keyword into the script. + However, I have made the default so that the thermo directory is + not compiled. + +2005-10-20 16:29 hkmoffa + + * Cantera/src/Makefile.in: Added logic for including the thermo + directory into the main compilation step. + +2005-10-20 16:27 hkmoffa + + * Cantera/src/thermo/: .cvsignore, Makefile.in, + SingleSpeciesTP.cpp, SingleSpeciesTP.h: Added the SingleSpeciesTP + file as a trial commit. Want to get the bugs out of adding these + files to the main distribution first. + +2005-10-04 09:53 hkmoffa + + * Cantera/src/xml.cpp: Commented the _require() routine. + +2005-09-29 14:05 hkmoffa + + * ext/tpx/: CarbonDioxide.cpp, Heptane.cpp: Fixed a compilation + error on Linux. + +2005-09-27 05:12 dggoodwin + + * Cantera/src/Constituents.cpp, Cantera/src/ThermoFactory.cpp, + Cantera/src/ct_defs.h, Cantera/src/ctvector.cpp, + Cantera/src/recipes.h, configure, Cantera/clib/src/ctonedim.cpp: + minor cleanup + +2005-09-27 05:08 dggoodwin + + * Cantera/src/Makefile.in: removed reference to recipes.h + +2005-09-27 05:08 dggoodwin + + * Cantera/src/stringUtils.cpp: changed stripws to allow spaces in + the middle of strings + +2005-09-21 20:45 dggoodwin + + * Cantera/python/examples/equilibrium/adiabatic.py: added phi title + to output csv file + +2005-09-15 21:57 dggoodwin + + * Cantera/python/Cantera/liquidvapor.py, + Cantera/python/examples/liquid_vapor/critProperties.py, + Cantera/src/BandMatrix.cpp, data/inputs/liquidvapor.cti, + tools/src/fixtext.cpp: changes to support the classes for CO2 and + heptane in tpx + +2005-09-15 21:55 dggoodwin + + * ext/tpx/: CarbonDioxide.cpp, CarbonDioxide.h, Heptane.cpp, + Heptane.h, Makefile.in, subs.h, utils.cpp: added files for CO2 + and heptane contributed by R. Hunt, Stanford + +2005-09-15 08:59 dggoodwin + + * win32/vc7/SetupCantera/: SetupCantera.vdproj, + SetupCanteraLite.vdproj: does not include static libs + +2005-09-14 20:50 dggoodwin + + * Cantera/src/oneD/: Domain1D.cpp, MultiNewton.cpp, StFlow.cpp, + StFlow.h, boundaries1D.cpp, oneD_files.cpp: changes to make + solution of user-defined BVPs simpler. + +2005-09-14 20:47 dggoodwin + + * Cantera/src/oneD/Inlet1D.h: overloaded setupGrid in boundary1D to + do nothing. Without this, Domain1D::setupGrid would be called for + connector domains. + +2005-09-14 20:43 dggoodwin + + * Cantera/python/examples/equilibrium/multiphase_plasma.py: added + comment + +2005-09-14 20:40 dggoodwin + + * Cantera/python/examples/flames/adiabatic_flame.py: changed error + tolerance for time integration. The previous large value of atol + was causing problems. + +2005-09-13 10:10 dggoodwin + + * Cantera/src/oneD/: Domain1D.cpp, Domain1D.h, Inlet1D.h, + Sim1D.cpp, oneD_files.cpp: modifications to simplify solving + boundary value problems + +2005-09-01 20:41 dggoodwin + + * test_problems/ck2cti_test/: runtest.in, soot.inp, + soot_blessed.cti, therm_soot.dat: added test of extensions for + large molecules as implemented in the MIT soot mechanism. + +2005-08-30 13:28 dggoodwin + + * test_problems/Makefile.in: removed silane_eqil + +2005-08-30 13:28 dggoodwin + + * test_problems/python/: frac.cti, frac.py, frac_blessed.out, + runtest: modified the frac test + +2005-08-29 13:23 dggoodwin + + * win32/vc7/config_h/docopy.cmd: initial import + +2005-08-26 09:28 hkmoffa + + * configure: Changed the default back to the case where Cantera + will make its own lapack and blas libraries. + +2005-08-26 07:59 hkmoffa + + * config/configure.in: Added an ending 'fi' + +2005-08-18 20:17 dggoodwin + + * winconfig.h, Cantera/matlab/cantera/buildwin.m, + Cantera/matlab/cantera/private/ctmethods.cpp, + Cantera/matlab/cantera/private/mllogger.h, + Cantera/matlab/cantera/private/write.cpp, + Cantera/python/src/pycantera.cpp, Cantera/src/logger.h, + Cantera/src/misc.cpp, Cantera/src/oneD/MultiJac.cpp, + config/configure.in: corrected minor bugs in windows versions of + files + +2005-08-18 11:16 dggoodwin + + * configure, Cantera/src/State.cpp, config/configure, + config/configure.in, ext/f2c_libs/arith.h: minor cleanup + +2005-07-30 14:49 hkmoffa + + * Cantera/src/ctml.cpp: Fixed an error where Cantera would seg + fault if errors in the XML file occurred. + +2005-07-28 16:02 hkmoffa + + * Cantera/src/converters/CKParser.cpp: Got rid of one warning + message. + +2005-07-28 16:01 hkmoffa + + * Cantera/src/converters/ck2ct.cpp: Changed the format type of an + fprintf statement. + +2005-07-28 14:53 hkmoffa + + * Cantera/src/: ctml.cpp, ctml.h: Added the getMatrixValues + routine. This routine fills in a matrix of doubles, keyed by a + lookup name that determines the two indecises, e.g.: + H+:Cl-:3.0E5 This introduces a triplet notation into the Cantera + API. Added a parameter to the getFloatArray() routine, that has + a default value -> so it shouldn't cause any changes to the API. + +2005-07-28 14:40 hkmoffa + + * Cantera/src/: stringUtils.cpp, stringUtils.h: Added the + atofCheck() routine. + +2005-07-25 20:56 dggoodwin + + * winconfig.h, Cantera/src/EdgeKinetics.h, + Cantera/src/InterfaceKinetics.cpp, + Cantera/src/InterfaceKinetics.h, Cantera/src/Kinetics.h, + Cantera/src/ReactionStoichMgr.cpp, + Cantera/src/ReactionStoichMgr.h, Cantera/src/StoichManager.h, + Cantera/src/converters/CKParser.cpp, + Cantera/src/converters/Reaction.h, + Cantera/src/converters/ck2ct.cpp: cleanup + +2005-07-24 20:54 dggoodwin + + * Cantera/src/ReactionStoichMgr.cpp: changed how global reactions + are handled + +2005-07-24 20:53 dggoodwin + + * Cantera/src/converters/: CKReader.cpp, CKReader.h, ck2ct.cpp: + support for fractional stoich coefficients + +2005-07-24 20:52 dggoodwin + + * Cantera/src/converters/: Reaction.cpp, Reaction.h: added fwdOrder + +2005-07-24 20:51 dggoodwin + + * Cantera/src/converters/CKParser.cpp: now recognizes the FORD + keyword + +2005-07-23 07:12 dggoodwin + + * test_problems/silane_equil/output_blessed.txt: SI chem potential + changed in last digit + +2005-07-22 06:33 dggoodwin + + * Cantera/src/ChemEquil.cpp, Cantera/src/GasKinetics.cpp, + Cantera/src/GasKinetics.h, configure, ext/f2c_libs/arith.h: + cleanup + +2005-07-22 05:50 dggoodwin + + * examples/cxx/: Makefile.in, equil_example1.cpp, example_utils.h, + examples.cpp, kinetics_example1.cpp, kinetics_example2.cpp, + rxnpath_example1.cpp, transport_example1.cpp, + transport_example2.cpp: updated + +2005-07-22 05:50 dggoodwin + + * Cantera/src/equilibrate.cpp: minor cleanup + +2005-07-22 05:36 dggoodwin + + * Cantera/python/setup.py.in: replaced g2c with ctf2c + +2005-07-21 21:36 dggoodwin + + * Cantera/src/equil.h: changed default loglevel to 0. + +2005-07-21 20:27 dggoodwin + + * Cantera/src/: ChemEquil.cpp, ChemEquil.h, equil.h, + equilibrate.cpp, MultiPhase.cpp, MultiPhase.h, + MultiPhaseEquil.cpp, MultiPhaseEquil.h: enhanced and cleaned up + equilibrium code + +2005-07-21 08:00 dggoodwin + + * test_problems/python/.cvsignore: fixed .cvsignore so that + frac_blessed.out is not included + +2005-07-16 05:19 dggoodwin + + * test_problems/python/frac_blessed.out: removed diagnostic + messages + +2005-07-14 11:44 dggoodwin + + * Cantera/src/: MultiPhase.cpp, MultiPhase.h, ChemEquil.h: + improvements to equilibrate + +2005-07-14 11:40 dggoodwin + + * Cantera/src/: importCTML.cpp, importCTML.h: allow tolerance on + reaction element balances, rather than requiring precise balance + +2005-07-02 11:46 hkmoffa + + * config/configure.in: Fixed an error in the configure.in file, + where the F90 interface was requested to be not built, but an + attempt to build it is made anyway -> windows cygwin interface. + +2005-07-02 11:30 hkmoffa + + * configure: Took out an extraneous line that might be confusing. + +2005-06-28 09:00 hkmoffa + + * Cantera/src/MultiPhase.cpp: Fixed a compilation error condition. + Commented out the call to init() within updatePhases(). + +2005-06-27 07:51 dggoodwin + + * Cantera/src/: MultiPhaseEquil.cpp, MultiPhaseEquil.h, + MultiPhase.h, MultiPhase.cpp: cleanup + +2005-06-25 08:57 dggoodwin + + * Makefile.in, Cantera/clib/src/ctmultiphase.cpp, + Cantera/python/examples/.cvsignore, + Cantera/python/examples/run_examples.py, + Cantera/src/MultiPhase.cpp, Cantera/src/MultiPhaseEquil.cpp, + Cantera/src/MultiPhaseEquil.h: cleanup + +2005-06-25 06:16 dggoodwin + + * Cantera/python/examples/: catcomb.py, critProperties.py, + diamond.py, dustygas.py, flame1.py, flame2.py, function1.py, + isentropic.py, mix1.py, mix2.py, npflame1.py, rankine.py, + reactor1.py, reactor2.py, rxnpath1.py, rxnpath2.py, stflame1.py, + flames/npflame1.py, flames/ohn.cti, gasdynamics/isentropic.py, + liquid_vapor/critProperties.py, liquid_vapor/rankine.py, + misc/rxnpath1.py, reactors/function1.py, reactors/mix1.py, + reactors/mix2.py, reactors/reactor1.py, reactors/reactor2.py, + surface_chemistry/catcomb.py, surface_chemistry/diamond.py, + transport/dustygas.py: reorganized + +2005-06-24 22:27 dggoodwin + + * Cantera/clib/src/ctmultiphase.cpp, + Cantera/python/Cantera/OneD/__init__.py, + Cantera/python/examples/catcomb.py, + Cantera/python/examples/flames/ohn.cti, + Cantera/src/MultiPhase.cpp, Cantera/src/MultiPhase.h, + Cantera/src/MultiPhaseEquil.cpp, Cantera/src/MultiPhaseEquil.h, + Cantera/src/StoichManager.h, Cantera/src/ThermoPhase.h, + Cantera/src/oneD/Domain1D.h, Cantera/src/oneD/OneDim.cpp, + Cantera/src/oneD/StFlow.cpp, tools/src/package4mac.in, + tools/templates/f77/demo.mak.in, tools/templates/f90/demo.mak.in: + cleanup + +2005-06-24 21:55 dggoodwin + + * win32/vc7/: cantera.sln, SetupCantera/SetupCantera.vdproj, + cantera/cantera.vcproj: minor cleanup + +2005-06-24 10:43 dggoodwin + + * apps/MixMaster/KineticsFrame.py: changed default to non-browser + +2005-06-24 10:04 dggoodwin + + * README.txt: updated + +2005-06-23 08:14 hkmoffa + + * config/: configure, configure.in: Took out the version number + from the path directories. Simplified the installation + variability in the process by taking out the choice for a + distributed installation. Now, everything looks the same under + the "Cantera Installation Directory Tree" hood, no matter what + version is used. This should reduce the number of installation + problems encountered. + +2005-06-23 08:10 hkmoffa + + * Makefile.in: Changed the rm commands to use a common rule. On + occasion make was failing because rm didn't have the -r option + when it encountered directories. + +2005-06-18 11:03 dggoodwin + + * Makefile.in: copy cti files to Python flame demo directory + +2005-06-18 11:02 dggoodwin + + * Cantera/python/examples/flames/: free_h2_air.py, ohn.cti: add + free H2/air flame example + +2005-06-18 10:01 dggoodwin + + * tools/templates/cxx/demo.mak.in: Prerelease_1_6_0_branch merged + into trunk + +2005-06-18 09:58 dggoodwin + + * .cvsignore, ChangeLog, INSTALLING, Makefile.in, README, + config.h.in, configure, winconfig.h, Cantera/Makefile.in, + Cantera/clib/src/Cabinet.h, Cantera/clib/src/Makefile.in, + Cantera/clib/src/Storage.cpp, Cantera/clib/src/ct.cpp, + Cantera/clib/src/ct.h, Cantera/clib/src/ctfunc.cpp, + Cantera/clib/src/ctmultiphase.cpp, + Cantera/clib/src/ctmultiphase.h, Cantera/clib/src/ctonedim.cpp, + Cantera/clib/src/ctonedim.h, Cantera/clib/src/ctreactor.cpp, + Cantera/clib/src/ctrpath.cpp, Cantera/clib/src/ctxml.cpp, + Cantera/cxx/Makefile.in, Cantera/cxx/demos/Makefile.in, + Cantera/cxx/demos/flamespeed.cpp, + Cantera/cxx/demos/kinetics1.cpp, Cantera/cxx/demos/rankine.cpp, + Cantera/cxx/include/Cantera.h, Cantera/cxx/include/equilibrium.h, + Cantera/cxx/include/importPhase.h, + Cantera/cxx/include/integrators.h, Cantera/cxx/include/onedim.h, + Cantera/cxx/include/transport.h, Cantera/cxx/include/zerodim.h, + Cantera/cxx/src/cxxutils.cpp, + Cantera/fortran/src/cantera_kinetics.f90, + Cantera/fortran/src/cantera_thermo.f90, + Cantera/matlab/Makefile.in, Cantera/matlab/setup_matlab.py.in, + Cantera/matlab/cantera/buildwin.m, + Cantera/matlab/cantera/ck2cti.m, + Cantera/matlab/cantera/1D/@Domain1D/Domain1D.m, + Cantera/matlab/cantera/1D/@Domain1D/private/domain_methods.m, + Cantera/matlab/cantera/@Mixture/Mixture.m, + Cantera/matlab/cantera/@Mixture/addPhase.m, + Cantera/matlab/cantera/@Mixture/chemPotentials.m, + Cantera/matlab/cantera/@Mixture/display.m, + Cantera/matlab/cantera/@Mixture/elementIndex.m, + Cantera/matlab/cantera/@Mixture/equilibrate.m, + Cantera/matlab/cantera/@Mixture/mix_hndl.m, + Cantera/matlab/cantera/@Mixture/nElements.m, + Cantera/matlab/cantera/@Mixture/nPhases.m, + Cantera/matlab/cantera/@Mixture/nSpecies.m, + Cantera/matlab/cantera/@Mixture/phaseMoles.m, + Cantera/matlab/cantera/@Mixture/pressure.m, + Cantera/matlab/cantera/@Mixture/setPhaseMoles.m, + Cantera/matlab/cantera/@Mixture/setPressure.m, + Cantera/matlab/cantera/@Mixture/setSpeciesMoles.m, + Cantera/matlab/cantera/@Mixture/setTemperature.m, + Cantera/matlab/cantera/@Mixture/speciesIndex.m, + Cantera/matlab/cantera/@Mixture/temperature.m, + Cantera/matlab/cantera/@Mixture/private/mixturemethods.m, + Cantera/matlab/cantera/@Reactor/mass.m, + Cantera/matlab/cantera/@Reactor/setEnergy.m, + Cantera/matlab/cantera/@Solution/display.m, + Cantera/matlab/cantera/@ThermoPhase/display.m, + Cantera/matlab/cantera/@ThermoPhase/equilibrate.m, + Cantera/matlab/cantera/@ThermoPhase/name.m, + Cantera/matlab/cantera/@ThermoPhase/setName.m, + Cantera/matlab/cantera/@ThermoPhase/private/thermo_set.m, + Cantera/matlab/cantera/examples/catcomb.m, + Cantera/matlab/cantera/examples/flame1.m, + Cantera/matlab/cantera/examples/ignite.m, + Cantera/matlab/cantera/examples/ignite2.m, + Cantera/matlab/cantera/examples/ignite3.m, + Cantera/matlab/cantera/examples/ignite_hp.m, + Cantera/matlab/cantera/examples/ignite_uv.m, + Cantera/matlab/cantera/examples/test_examples.m, + Cantera/matlab/cantera/private/ctfunctions.cpp, + Cantera/matlab/cantera/private/ctmatutils.h, + Cantera/matlab/cantera/private/ctmethods.cpp, + Cantera/matlab/cantera/private/mixturemethods.cpp, + Cantera/matlab/cantera/private/onedimmethods.cpp, + Cantera/matlab/cantera/private/phasemethods.cpp, + Cantera/matlab/cantera/private/thermomethods.cpp, + Cantera/matlab/cantera/private/write.cpp, + Cantera/matlab/cantera/tutorial/tut1.m, + Cantera/matlab/cantera/tutorial/tut4.m, + Cantera/python/Makefile.in, Cantera/python/ctml_writer.py, + Cantera/python/setup.py.in, Cantera/python/winsetup.py, + Cantera/python/Cantera/Kinetics.py, + Cantera/python/Cantera/Phase.py, + Cantera/python/Cantera/ThermoPhase.py, + Cantera/python/Cantera/__init__.py, + Cantera/python/Cantera/ck2cti.py, + Cantera/python/Cantera/constants.py, + Cantera/python/Cantera/mixture.py, Cantera/python/Cantera/num.py, + Cantera/python/Cantera/OneD/BurnerFlame.py, + Cantera/python/Cantera/OneD/FreeFlame.py, + Cantera/python/Cantera/OneD/onedim.py, + Cantera/python/examples/flame1.py, + Cantera/python/examples/equilibrium/KOH.cti, + Cantera/python/examples/equilibrium/adiabatic.py, + Cantera/python/examples/equilibrium/multiphase_plasma.py, + Cantera/python/examples/equilibrium/plotting.py, + Cantera/python/examples/equilibrium/simple.py, + Cantera/python/examples/equilibrium/stoich.py, + Cantera/python/examples/flames/adiabatic_flame.py, + Cantera/python/examples/flames/flame1.py, + Cantera/python/examples/flames/flame2.py, + Cantera/python/examples/flames/stflame1.py, + Cantera/python/examples/kinetics/ratecoeffs.py, + Cantera/python/src/cantera.def, Cantera/python/src/ct.def, + Cantera/python/src/ctflow.def, Cantera/python/src/ctfuncs.cpp, + Cantera/python/src/ctkinetics.def, + Cantera/python/src/ctmultiphase_methods.cpp, + Cantera/python/src/ctnumerics.def, + Cantera/python/src/ctonedim_methods.cpp, + Cantera/python/src/ctphase.def, + Cantera/python/src/ctphase_methods.cpp, + Cantera/python/src/ctsurf.def, Cantera/python/src/ctthermo.def, + Cantera/python/src/ctthermo_methods.cpp, + Cantera/python/src/cttransport.def, Cantera/python/src/methods.h, + Cantera/python/src/pycantera.cpp, Cantera/python/src/pylogger.h, + Cantera/python/src/pyutils.h, Cantera/src/.cvsignore, + Cantera/src/Array.h, Cantera/src/ArrayViewer.h, + Cantera/src/BandMatrix.h, Cantera/src/ChemEquil.cpp, + Cantera/src/ChemEquil.h, Cantera/src/ConstDensityThermo.cpp, + Cantera/src/ConstDensityThermo.h, Cantera/src/Constituents.cpp, + Cantera/src/Constituents.h, Cantera/src/Elements.cpp, + Cantera/src/Elements.h, Cantera/src/GRI_30_Kinetics.cpp, + Cantera/src/GasKinetics.cpp, Cantera/src/GasKinetics.h, + Cantera/src/IdealGasPhase.cpp, Cantera/src/IdealGasPhase.h, + Cantera/src/ImplicitSurfChem.cpp, + Cantera/src/InterfaceKinetics.cpp, + Cantera/src/InterfaceKinetics.h, Cantera/src/Kinetics.cpp, + Cantera/src/Kinetics.h, Cantera/src/KineticsFactory.cpp, + Cantera/src/LatticeSolidPhase.cpp, + Cantera/src/LatticeSolidPhase.h, Cantera/src/Makefile.in, + Cantera/src/MetalPhase.h, Cantera/src/MultiPhase.cpp, + Cantera/src/MultiPhase.h, Cantera/src/MultiPhaseEquil.cpp, + Cantera/src/MultiPhaseEquil.h, Cantera/src/Phase.cpp, + Cantera/src/Phase.h, Cantera/src/RateCoeffMgr.h, + Cantera/src/ReactionData.h, Cantera/src/ReactionStoichMgr.cpp, + Cantera/src/ReactionStoichMgr.h, Cantera/src/RxnRates.h, + Cantera/src/SpeciesThermoFactory.cpp, Cantera/src/State.h, + Cantera/src/StoichManager.h, Cantera/src/StoichSubstance.cpp, + Cantera/src/StoichSubstance.h, Cantera/src/SurfPhase.h, + Cantera/src/ThermoFactory.cpp, Cantera/src/ThermoPhase.cpp, + Cantera/src/ThermoPhase.h, Cantera/src/config.h, + Cantera/src/ct2ctml.cpp, Cantera/src/ct_defs.h, + Cantera/src/ctexceptions.h, Cantera/src/ctml.cpp, + Cantera/src/ctvector.cpp, Cantera/src/global.h, + Cantera/src/importCTML.cpp, Cantera/src/logger.h, + Cantera/src/misc.cpp, Cantera/src/mix_defs.h, + Cantera/src/phasereport.cpp, Cantera/src/reaction_defs.h, + Cantera/src/units.h, Cantera/src/utilities.h, + Cantera/src/converters/Makefile.in, + Cantera/src/converters/ck2ct.cpp, Cantera/src/converters/ck2ct.h, + Cantera/src/oneD/Domain1D.h, Cantera/src/oneD/Inlet1D.h, + Cantera/src/oneD/Makefile.in, Cantera/src/oneD/OneDim.cpp, + Cantera/src/oneD/StFlow.cpp, Cantera/src/oneD/StFlow.h, + Cantera/src/oneD/boundaries1D.cpp, + Cantera/src/transport/Makefile.in, + Cantera/src/transport/MultiTransport.cpp, + Cantera/src/transport/SolidTransport.cpp, + Cantera/src/transport/TransportFactory.cpp, + Cantera/src/zeroD/FlowDevice.cpp, Cantera/src/zeroD/FlowDevice.h, + Cantera/src/zeroD/Makefile.in, + Cantera/src/zeroD/PID_Controller.h, + Cantera/src/zeroD/Reactor.cpp, Cantera/src/zeroD/Reactor.h, + Cantera/src/zeroD/ReactorBase.cpp, + Cantera/src/zeroD/ReactorBase.h, + Cantera/src/zeroD/ReactorNet.cpp, Cantera/src/zeroD/ReactorNet.h, + Cantera/src/zeroD/Reservoir.h, Cantera/src/zeroD/Wall.cpp, + Cantera/src/zeroD/Wall.h, Cantera/src/zeroD/flowControllers.h, + apps/MixMaster/KineticsFrame.py, apps/MixMaster/Mix.py, + apps/MixMaster/ThermoFrame.py, apps/MixMaster/ThermoProp.py, + config/configure, config/configure.in, data/inputs/elements.xml, + data/inputs/nasa.cti, data/inputs/nasa_condensed.cti, + data/inputs/nasa_gas.cti, examples/cxx/Makefile.in, + examples/cxx/equil_example1.cpp, examples/cxx/examples.cpp, + examples/cxx/kinetics_example1.cpp, ext/Makefile.in, + ext/blas/Makefile.in, ext/cvode/Makefile.in, + ext/f2c_blas/Makefile.in, ext/f2c_lapack/Makefile.in, + ext/f2c_libs/Makefile.in, ext/f2c_libs/arith.h, + ext/f2c_math/.cvsignore, ext/f2c_math/Makefile.in, + ext/f2c_math/fdump.c, ext/f2c_recipes/Makefile.in, + ext/lapack/Makefile.in, ext/math/Makefile.in, + ext/recipes/Makefile.in, ext/tpx/.depends, ext/tpx/Makefile.in, + test_problems/ck2cti_test/gri30a_blessed.cti, + test_problems/ck2cti_test/runtest.in, + test_problems/diamondSurf/Makefile.in, + test_problems/diamondSurf/diamond_blessed.xml, + test_problems/diamondSurf/runDiamond.cpp, + test_problems/python/flame1_blessed.csv, + test_problems/python/flame1_blessed_linux.csv, + test_problems/python/frac.cti, test_problems/python/frac.py, + test_problems/python/frac_blessed.out, + test_problems/python/runtest, + test_problems/silane_equil/Makefile.in, + test_problems/silane_equil/output_blessed.txt, + test_problems/silane_equil/silane_equil.cpp, + test_problems/surfkin/Makefile.in, tools/doc/Cantera.cfg, + tools/doc/footer.html, tools/doc/header.html, + tools/doc/doxyinput/Cantera.txt, tools/doc/doxyinput/build.txt, + tools/doc/doxyinput/ctnew.txt, + tools/doc/doxyinput/cxx-headers.txt, + tools/doc/doxyinput/demo.cpp, tools/doc/doxyinput/demo1.cpp, + tools/doc/doxyinput/demo1a.cpp, + tools/doc/doxyinput/demoequil.cpp, + tools/doc/doxyinput/equildemo.txt, tools/doc/doxyinput/ex1.cpp, + tools/doc/doxyinput/except.cpp, + tools/doc/doxyinput/exceptions.txt, + tools/doc/doxyinput/introcxx.txt, + tools/doc/doxyinput/languages.txt, + tools/doc/doxyinput/thermo.txt, + tools/doc/doxyinput/thermodemo.cpp, + tools/doc/doxyinput/thermodemo.txt, tools/src/Makefile.in, + tools/src/ck2cti.cpp, tools/src/findtag.py, + tools/src/finish_install.py.in, tools/src/fixtext.cpp, + tools/src/package4mac.in: Prerelease_1_6_0_branch merged into + trunk + +2005-06-17 20:18 dggoodwin + + * Cantera/python/Cantera/OneD/FreeFlame.py: initial import + +2005-06-16 22:49 dggoodwin + + * Cantera/matlab/cantera/@Mixture/: Mixture.m, chemPotentials.m, + display.m, elementIndex.m, equilibrate.m, mix_hndl.m, + nElements.m, nSpecies.m, phaseMoles.m, pressure.m, + setPhaseMoles.m, setPressure.m, setSpeciesMoles.m, + setTemperature.m, speciesIndex.m, temperature.m: initial import + +2005-06-16 22:46 dggoodwin + + * Cantera/python/examples/flames/adiabatic_flame.py: initial import + +2005-06-16 15:59 dggoodwin + + * Cantera/matlab/cantera/@Solution/display.m: use display method + inherited from ThermoPhase + +2005-06-15 20:08 dggoodwin + + * Makefile.in, Cantera/matlab/cantera/examples/prandtl1.m, + Cantera/python/setup.py.in, Cantera/src/ChemEquil.cpp, + Cantera/src/MultiPhaseEquil.cpp: changes to make ChemEquil more + stable + +2005-06-09 15:27 dggoodwin + + * configure, Cantera/cxx/demos/Makefile.in, + examples/cxx/Makefile.in, examples/cxx/equil_example1.cpp, + test_problems/silane_equil/Makefile.in, + test_problems/surfkin/Makefile.in: minor cleanup + +2005-06-08 15:36 dggoodwin + + * configure, Cantera/matlab/setup_matlab.py.in, + Cantera/python/setup.py.in, Cantera/src/oneD/StFlow.cpp, + Cantera/src/oneD/StFlow.h, Cantera/src/oneD/boundaries1D.cpp, + config/configure, config/configure.in, + tools/templates/cxx/demo.mak.in: support for the Accelerate + framework on the Mac + +2005-06-07 22:29 dggoodwin + + * Cantera/python/examples/equilibrium/: KOH.cti, adiabatic.py, + multiphase_plasma.py, simple.py, stoich.py: initial import + +2005-06-07 20:54 dggoodwin + + * test_problems/python/flame1_blessed_linux.csv: updated blessed + file + +2005-06-07 19:43 dggoodwin + + * Cantera/matlab/cantera/private/mixturemethods.cpp: support for + multiphase mixtures + +2005-06-06 07:28 hkmoffa + + * Cantera/src/transport/TransportFactory.cpp: Added comments. + +2005-05-22 14:07 dggoodwin + + * test_problems/python/: frac.cti, frac.py, frac_blessed.out, + runtest: fractional stoichiometric coefficient test + +2005-05-22 13:38 dggoodwin + + * Cantera/src/GasKinetics.cpp, Cantera/src/GasKinetics.h, + Cantera/src/ReactionStoichMgr.cpp, + Cantera/src/SpeciesThermoFactory.cpp, + Cantera/src/StoichManager.h, Cantera/src/ct2ctml.cpp, + Cantera/src/mix_defs.h, configure, Cantera/clib/src/ct.cpp, + Cantera/clib/src/ct.h, Cantera/clib/src/ctmultiphase.cpp, + Cantera/clib/src/ctmultiphase.h, + Cantera/fortran/src/cantera_kinetics.f90, + Cantera/fortran/src/cantera_thermo.f90, + Cantera/matlab/Makefile.in, Cantera/matlab/setup_matlab.py.in, + Cantera/matlab/cantera/@ThermoPhase/name.m, + Cantera/matlab/cantera/private/ctmethods.cpp, + Cantera/matlab/cantera/private/phasemethods.cpp, + Cantera/matlab/cantera/private/thermomethods.cpp, + Cantera/matlab/cantera/private/write.cpp, + Cantera/python/Cantera/Kinetics.py, + Cantera/python/Cantera/Mixture.py, + Cantera/python/Cantera/ThermoPhase.py, + Cantera/python/Cantera/mixture.py, + Cantera/python/src/ctthermo_methods.cpp, + tools/doc/doxyinput/Cantera.txt, tools/doc/doxyinput/ctnew.txt, + tools/doc/doxyinput/demo1a.cpp, tools/doc/doxyinput/introcxx.txt: + support for fractional stoichiometric coefficients + +2005-05-19 15:15 hkmoffa + + * Cantera/src/units.h: Added in more units: nm + nanometers Angstrom Angstroms Activation Energy Units: + Kelvin (GasConstant) Dimensionless (273.15 * + GasConstant) + + -> specification of dimensionless gibbs free energies is + common + in electrochemistry. However, you have to multiply by the + current temperature to convert correctly here. + +2005-05-01 06:58 dggoodwin + + * Cantera/src/: Array.h, ArrayViewer.h, BandMatrix.h, ChemEquil.h, + Kinetics.h, MultiPhase.cpp, MultiPhase.h, MultiPhaseEquil.cpp, + MultiPhaseEquil.h, ReactionData.h, ReactionStoichMgr.cpp, + ReactionStoichMgr.h, StoichManager.h, ct_defs.h, ctml.cpp, + global.h, importCTML.cpp, phasereport.cpp: added support for + non-integral product stoichiometric coefficients + +2005-04-23 10:14 dggoodwin + + * Cantera/matlab/cantera/@Mixture/: Mixture.m, addPhase.m, + mix_hndl.m, nPhases.m, private/mixturemethods.m: initial import + +2005-04-23 10:12 dggoodwin + + * Cantera/matlab/cantera/@ThermoPhase/: equilibrate.m, name.m, + setName.m, private/thermo_set.m: added name and setName methods + +2005-04-22 19:42 dggoodwin + + * Cantera/matlab/cantera/examples/: ignite.m, ignite2.m, ignite3.m, + ignite_hp.m, ignite_uv.m: corrected plot labels to be mass, + rather than mole, fractions + +2005-04-17 08:48 hkmoffa + + * Cantera/src/global.h: Added cvs id information. + +2005-04-15 12:47 hkmoffa + + * ext/Makefile.in: Changed the Makefile to always make f2c_libs. + Applications may have use of this even if Cantera doesn't + actually use f2c. + +2005-04-15 12:01 hkmoffa + + * Cantera/cxx/demos/kinetics1.cpp: Added in the cantera/Cantera.h + include file. It seemed to need it to compile in the demo + directory of the install directory. + +2005-04-13 04:17 dggoodwin + + * Cantera/python/examples/: equilibrium/adiabatic.py, + equilibrium/plotting.py, flames/flame1.py, flames/flame2.py, + flames/stflame1.py, kinetics/ratecoeffs.py: updated examples + +2005-04-06 17:03 dggoodwin + + * Cantera/matlab/cantera/buildwin.m, + win32/vc7/SetupCantera/SetupCantera.vdproj: minor changes to + SetupCantera + +2005-04-01 20:37 dggoodwin + + * Cantera/python/Cantera/constants.py: changed GasConstant to 1999 + CODATA value + +2005-04-01 15:21 dggoodwin + + * CVSROOT/commitinfo: enabled cvs_acls + +2005-04-01 15:19 dggoodwin + + * CVSROOT/: avail, checkoutlist: added avail + +2005-04-01 06:29 dggoodwin + + * tools/doc/: Cantera.cfg, doxyinput/Cantera.txt, + doxyinput/build.txt, doxyinput/ctnew.txt, + doxyinput/cxx-headers.txt, doxyinput/demo.cpp, + doxyinput/demo1.cpp, doxyinput/demo1a.cpp, + doxyinput/demoequil.cpp, doxyinput/equildemo.txt, + doxyinput/ex1.cpp, doxyinput/except.cpp, + doxyinput/exceptions.txt, doxyinput/introcxx.txt, + doxyinput/languages.txt, doxyinput/thermo.txt, + doxyinput/thermodemo.cpp, doxyinput/thermodemo.txt: new doxygen + files + +2005-03-31 17:10 dggoodwin + + * Cantera/src/: IdealGasPhase.h, State.h, ThermoPhase.h, misc.cpp, + utilities.h: updated comments + +2005-03-30 09:33 hkmoffa + + * Cantera/src/ThermoPhase.h: Fixed a comment section that + incorrectly identified a function as returning a Gibbs energy + when it actually returned a Heat capacity. + +2005-03-30 08:03 hkmoffa + + * Makefile.in: Took residual particle Makefile stuff out of this + file. + +2005-03-30 08:02 hkmoffa + + * Cantera/Makefile.in: Took residual particle configure stuff out + of this file. + +2005-03-30 08:00 hkmoffa + + * config/configure.in: Took residual particle stuff out of this + file. + +2005-03-23 12:54 hkmoffa + + * Cantera/src/.cvsignore: Added *.d + +2005-03-09 12:48 dggoodwin + + * Cantera/python/ctml_writer.py: added support for fractional + product stoichiometric coefficients in global irreversible + reactions + +2005-03-05 07:43 dggoodwin + + * Cantera/src/: LatticeSolidPhase.h, LatticeSolidPhase.cpp: initial + import + +2005-02-25 04:48 dggoodwin + + * Makefile.in, config/configure, config/configure.in: g95 changes + +2005-02-24 19:52 dggoodwin + + * Makefile.in, Cantera/python/setup.py.in, config/configure, + config/configure.in, tools/src/finish_install.py.in: minor + cleanup + +2005-02-24 11:01 dggoodwin + + * Cantera/src/converters/ck2ct.cpp: minor cleanup + +2005-02-24 11:01 dggoodwin + + * Cantera/src/config.h: added check for CANTERA_APP + +2005-02-24 11:01 dggoodwin + + * Cantera/cxx/include/Cantera.h: added definition of CANTERA_APP, + which is used in Cantera/src/config.h to control where to find + the config file + +2005-02-24 10:59 dggoodwin + + * test_problems/: diamondSurf/runDiamond.cpp, + silane_equil/silane_equil.cpp: added #include for file Cantera.h + +2005-02-24 10:59 dggoodwin + + * test_problems/silane_equil/output_blessed.txt: changed output + format + +2005-02-24 08:54 dggoodwin + + * tools/src/findtag.py: initial import + +2005-02-22 21:27 dggoodwin + + * CVSROOT/loginfo: added syncmail + +2005-02-17 09:35 dggoodwin + + * apps/MixMaster/: Mix.py, ThermoFrame.py, ThermoProp.py: minor + changes + +2005-02-17 08:25 dggoodwin + + * apps/MixMaster/KineticsFrame.py: added scrollbar to reaction + window + +2005-02-16 22:12 dggoodwin + + * apps/MixMaster/KineticsFrame.py: changed default reaction path + diagram format to SVG + +2005-02-10 00:15 dggoodwin + + * Cantera/src/Makefile.in: minor win32 bug fixes + +2005-02-10 00:10 dggoodwin + + * Cantera/clib/src/ct.h, Cantera/matlab/cantera/buildwin.m, + Cantera/matlab/cantera/private/ctmethods.cpp, + Cantera/python/src/pycantera.cpp, Cantera/src/MultiPhase.cpp, + Cantera/src/config.h, Cantera/src/converters/ck2ct.cpp, + win32/vc7/cantera.sln, win32/vc7/cantera/cantera.vcproj, + win32/vc7/tpx/tpx.vcproj: minor win32 bug fixes + +2005-02-09 02:26 dggoodwin + + * Makefile.in, configure, Cantera/clib/src/ct.cpp, + Cantera/clib/src/ct.h, Cantera/python/Cantera/Mixture.py, + Cantera/python/Cantera/__init__.py, + Cantera/python/Cantera/mixture.py, + Cantera/python/examples/equilibrium/adiabatic.py, + Cantera/python/examples/equilibrium/plotting.py, + Cantera/python/src/ctfuncs.cpp, + Cantera/python/src/ctthermo_methods.cpp, + Cantera/python/src/methods.h, Cantera/python/src/pycantera.cpp, + Cantera/python/src/pyutils.h, tools/src/package4mac.in: support + for HTML log files. + +2005-02-09 02:23 dggoodwin + + * Cantera/src/: MultiPhase.cpp, MultiPhaseEquil.cpp, misc.cpp: + support for HTML log files. + +2005-02-08 08:52 dggoodwin + + * config/: configure, configure.in: corrected error in g95 options + +2005-02-03 13:44 dggoodwin + + * Cantera/python/examples/equilibrium/adiabatic.py: initial import + +2005-02-02 12:07 dggoodwin + + * test_problems/ck2cti_test/runtest.in: minor output format change + +2005-02-02 11:59 dggoodwin + + * test_problems/ck2cti_test/gri30a_blessed.cti: minor output format + change + +2005-02-02 11:37 dggoodwin + + * Cantera/src/config.h: not needed in repository + +2005-02-02 11:10 dggoodwin + + * Cantera/: clib/src/Cabinet.h, clib/src/ctfunc.cpp, + clib/src/ctmultiphase.cpp, clib/src/ctonedim.cpp, + clib/src/ctreactor.cpp, clib/src/ctrpath.cpp, clib/src/ctxml.cpp, + src/config.h: added template<> + +2005-02-01 15:27 dggoodwin + + * Cantera/python/: Makefile.in, Cantera/Phase.py, Cantera/num.py, + src/pycantera.cpp: changed numarray/Numeric selection to avoid + importing the wrong module + +2005-02-01 07:22 dggoodwin + + * Cantera/python/src/: cantera.def, ct.def, ctflow.def, + ctkinetics.def, ctnumerics.def, ctphase.def, ctphase_methods.cpp, + ctsurf.def, ctthermo.def, cttransport.def: removed unused files + +2005-01-31 10:54 dggoodwin + + * Cantera/matlab/: Makefile.in, cantera/ck2cti.m, + cantera/private/ctfunctions.cpp: added support for ck2cti without + requiring external program + +2005-01-31 04:20 dggoodwin + + * Cantera/python/Cantera/ck2cti.py: initial import + +2005-01-31 04:18 dggoodwin + + * Cantera/: clib/src/ct.cpp, clib/src/ct.h, + clib/src/ctmultiphase.cpp, clib/src/ctmultiphase.h, + python/Makefile.in, python/setup.py.in, + python/Cantera/Mixture.py, python/Cantera/mixture.py, + python/src/ctfuncs.cpp, python/src/ctmultiphase_methods.cpp, + python/src/methods.h: added function ck2cti + +2005-01-31 04:18 dggoodwin + + * Cantera/src/converters/ck2ct.cpp: printf and stream i/o changed + to fprintf to allow writing cti file to a file rather than to the + standard output + +2005-01-31 04:16 dggoodwin + + * Cantera/src/phasereport.cpp: only print mu for non-zero species + +2005-01-28 18:57 dggoodwin + + * Cantera/clib/src/: Storage.cpp, ct.cpp: corrected a problem with + phases with identical names + +2005-01-28 18:46 dggoodwin + + * Cantera/python/Cantera/Kinetics.py: corrected a problem with + phases with identical names + +2005-01-24 19:48 dggoodwin + + * ext/: f2c_lapack/Makefile.in, f2c_math/.cvsignore: added files to + .cvsignore + +2005-01-24 19:41 dggoodwin + + * ChangeLog, Makefile.in, configure, Cantera/cxx/demos/Makefile.in, + Cantera/cxx/demos/demos.cpp, Cantera/cxx/demos/flamespeed.cpp, + Cantera/cxx/demos/kin1_blessed.csv, + Cantera/cxx/demos/kin1_blessed.dat, + Cantera/cxx/demos/kinetics1.cpp, Cantera/cxx/demos/rankine.cpp, + Cantera/python/Cantera/liquidvapor.py, Cantera/src/config.h, + Cantera/src/misc.cpp, Cantera/src/phasereport.cpp, + bin/mixmaster.py, config/configure, config/configure.in, + data/inputs/liquidvapor.cti, ext/tpx/.depends, + ext/tpx/HFC134a.cpp, ext/tpx/HFC134a.h, ext/tpx/Makefile.in, + ext/tpx/subs.h, ext/tpx/utils.cpp, tools/bin/erase: fixed problem + with dependencies for ck2cti + +2005-01-24 19:38 dggoodwin + + * tools/src/ck2cti.cpp, Cantera/src/converters/ck2ct.cpp, + Cantera/src/converters/ck2ct.h: added validate option + +2005-01-24 07:06 dggoodwin + + * Makefile.in, configure, Cantera/cxx/demos/Makefile.in, + Cantera/cxx/demos/demos.cpp, Cantera/cxx/demos/flamespeed.cpp, + Cantera/cxx/demos/kinetics1.cpp, Cantera/cxx/demos/rankine.cpp, + Cantera/src/config.h, Cantera/src/misc.cpp, ext/tpx/.depends, + ext/tpx/utils.cpp, tools/bin/erase: changed C++ demos + +2005-01-24 03:32 dggoodwin + + * Cantera/cxx/demos/: Makefile.in, demos.cpp, flamespeed.cpp, + kin1_blessed.csv, kin1_blessed.dat, kinetics1.cpp, rankine.cpp: + added program demo to run all demos + +2005-01-22 04:48 dggoodwin + + * win32/vc7/: SetupCantera/SetupCantera.vdproj, + cantera/cantera.vcproj, ck2cti/ck2cti.vcproj, + converters/converters.vcproj, ctmatlab/ctmatlab.vcproj, + ctpython/ctpython.vcproj, cvode/cvode.vcproj, + cxxutils/cxxutils.vcproj, f2c_blas/f2c_blas.vcproj, + f2c_lapack/f2c_lapack.vcproj, f2c_libs/f2c_libs.vcproj, + f2c_math/f2c_math.vcproj, f2c_recipes/f2c_recipes.vcproj, + oneD/oneD.vcproj, tpx/tpx.vcproj, transport/transport.vcproj, + zeroD/zeroD.vcproj: added hfc134a to Cantera + +2005-01-19 13:22 dggoodwin + + * data/inputs/: nasa.cti, nasa_condensed.cti, nasa_gas.cti: + separated gaseous and condensed-phase species + +2005-01-18 06:36 dggoodwin + + * ext/tpx/HFC134a.h: fixed include error + +2005-01-14 05:41 dggoodwin + + * configure, Cantera/python/Cantera/liquidvapor.py, + Cantera/src/phasereport.cpp, bin/mixmaster.py, + data/inputs/liquidvapor.cti, ext/f2c_libs/arith.h, + ext/tpx/HFC134a.cpp, ext/tpx/HFC134a.h, ext/tpx/Makefile.in, + ext/tpx/subs.h, ext/tpx/utils.cpp: added HFC134a + +2005-01-13 10:02 hkmoffa + + * Cantera/src/StoichSubstance.h: Added a "get" in front of some + void functions. + +2005-01-13 06:02 dggoodwin + + * Cantera/src/: ChemEquil.h, ThermoPhase.h, config.h, + oneD/Domain1D.h, oneD/StFlow.cpp: changed code related to + adiabatic flame + +2005-01-13 05:58 dggoodwin + + * Cantera/matlab/cantera/: @ThermoPhase/equilibrate.m, + private/thermomethods.cpp: added option to select equil solver + +2005-01-13 05:58 dggoodwin + + * Cantera/matlab/cantera/examples/: catcomb.m, flame1.m, + prandtl1.m, test_examples.m: added script to test selected + examples without pausing + +2005-01-12 16:33 hkmoffa + + * Cantera/src/ThermoPhase.h: Forgot to add to functions to + ThermoPhase.h: getActivityCoefficents() + getStandardVolumes() + +2005-01-12 15:09 hkmoffa + + * Cantera/src/: ConstDensityThermo.cpp, ConstDensityThermo.h, + GRI_30_Kinetics.cpp, GasKinetics.cpp, GasKinetics.h, + IdealGasPhase.cpp, IdealGasPhase.h, StoichSubstance.cpp, + StoichSubstance.h, ThermoPhase.h, config.h, oneD/StFlow.cpp, + transport/MultiTransport.cpp, transport/TransportFactory.cpp: + This delta contains the suggested changes to the ThermoPhase API. + It clears up the distinction between the quantities calculated + from the standard state and quantitities that are calculated + based on the "reference state". The reference state is at a + fixed pressure, while the standard state is at the T and P of the + solution. + + The delta also contains changes to the implementation of the + Ideal Gas Law. The standard concentration is now defined to be + equal to p/RT instead of the previous value of p_ref/RT. Also, + as a consequence the returned values of the activities will be + equal to the solution mole fractions. Numerically, equilibrium + constants and reaction rates are the same up to numerical + round-off error. + +2005-01-12 08:03 hkmoffa + + * Cantera/clib/src/Makefile.in: Fixed an error in this Makefile. + libclib.a was being installed in the lib directory itself with + the name "cantera". Now it is being installed in + ctversion/libclib.a + +2005-01-11 18:22 hkmoffa + + * .cvsignore, Makefile.in, Cantera/clib/src/Makefile.in, + Cantera/cxx/Makefile.in, Cantera/cxx/demos/Makefile.in, + Cantera/src/Kinetics.cpp, Cantera/src/Kinetics.h, + Cantera/src/KineticsFactory.cpp, Cantera/src/Makefile.in, + Cantera/src/config.h, Cantera/src/ctvector.cpp, + Cantera/src/converters/Makefile.in, Cantera/src/oneD/Makefile.in, + Cantera/src/transport/Makefile.in, Cantera/src/zeroD/Makefile.in, + config/configure, config/configure.in, ext/blas/Makefile.in, + ext/cvode/Makefile.in, ext/f2c_blas/Makefile.in, + ext/f2c_lapack/Makefile.in, ext/f2c_libs/Makefile.in, + ext/f2c_math/Makefile.in, ext/f2c_recipes/Makefile.in, + ext/lapack/Makefile.in, ext/math/Makefile.in, + ext/recipes/Makefile.in, ext/tpx/Makefile.in, + tools/src/Makefile.in, tools/templates/cxx/demo.mak.in: Revision + of the Makefiles to eliminate extra work in recompiles. No + linking or compilation will be done if not necessary + + .h files are sent to build/include tree in the lower level + makefiles, as a consequence. + + Kinetics.cpp new file was created by taking routines in + KineticsFactory.cpp and placing them in the new file. + + demo.mak.in now has a CXX_END_LIBS capability. My linux system + needs this for some reason. + +2005-01-11 18:19 hkmoffa + + * configure: Changed the default for NEED_NUMERIC from 'n' to 'y' + to help with backwards compatibility with previous releases. + +2005-01-10 06:57 dggoodwin + + * tools/doc/python/mkmkdoc.py: initial import + +2005-01-09 12:29 dggoodwin + + * config.h, configure, Cantera/clib/src/ct.cpp, + Cantera/clib/src/ctmultiphase.cpp, + Cantera/cxx/include/PureFluid.h, Cantera/cxx/src/writelog.cpp, + Cantera/python/ctml_writer.py, Cantera/python/winsetup.py, + Cantera/python/Cantera/Mixture.py, + Cantera/python/Cantera/mixture.py, Cantera/python/Cantera/num.py, + Cantera/src/ChemEquil.cpp, Cantera/src/ChemEquil.h, + Cantera/src/Constituents.cpp, Cantera/src/ImplicitChem.cpp, + Cantera/src/InterfaceKinetics.h, Cantera/src/Makefile.in, + Cantera/src/MultiPhase.cpp, Cantera/src/MultiPhase.h, + Cantera/src/MultiPhaseEquil.cpp, Cantera/src/MultiPhaseEquil.h, + Cantera/src/PureFluidPhase.h, + Cantera/src/SpeciesThermoFactory.cpp, + Cantera/src/ThermoFactory.cpp, Cantera/src/config.h, + Cantera/src/ct2ctml.cpp, Cantera/src/global.h, + Cantera/src/importCTML.h, Cantera/src/converters/CKParser.cpp, + Cantera/src/oneD/StFlow.cpp, Cantera/src/transport/Makefile.in, + Cantera/src/zeroD/Makefile.in, + Cantera/src/zeroD/flowControllers.h, apps/MixMaster/DataFrame.py, + apps/MixMaster/DataGraph.py, apps/MixMaster/Mix.py, + apps/MixMaster/main.py, bin/mixmaster.py, + data/inputs/graphite.cti, data/inputs/water.cti, + tools/src/package4mac.in, tools/testtools/csvdiff.cpp: trunk + changes merged in + +2005-01-09 11:32 dggoodwin + + * tools/testtools/csvdiff.cpp: modified csvdiff to allow larger + error bounds when solution is changing rapidly + +2005-01-09 10:58 dggoodwin + + * test_problems/silane_equil/output_blessed.txt: updated blessed + output due to format change + +2005-01-08 14:27 dggoodwin + + * data/inputs/: graphite.cti, water.cti: added water.cti + +2005-01-07 17:10 dggoodwin + + * win32/vc7/: cantera/cantera.vcproj, config_h/config_h.vcproj: + added a file to project cantera + +2005-01-07 16:59 dggoodwin + + * win32/vc7/config_h/config_h.vcproj: added project config_h + +2005-01-07 16:29 dggoodwin + + * win32/vc7/demos/: CanteraDemos.sln, Rankine.vcproj: added project + rankine + +2005-01-07 02:26 dggoodwin + + * Cantera/: clib/src/ct.cpp, clib/src/ct.h, + cxx/demos/Makefile.install, cxx/demos/rankine.cpp, + cxx/src/writelog.cpp, src/ChemEquil.h, src/Constituents.cpp, + src/DenseMatrix.cpp, src/ImplicitChem.cpp, + src/InterfaceKinetics.cpp, src/InterfaceKinetics.h, + src/Makefile.in, src/PureFluidPhase.cpp, src/PureFluidPhase.h, + src/ShomateThermo.h, src/ThermoFactory.cpp, src/config.h, + src/ct2ctml.cpp, src/global.h, src/importCTML.h, + src/converters/CKParser.cpp, src/converters/CKParser.h, + src/converters/CKReader.h, src/converters/Group.h, + src/converters/ckr_utils.cpp, src/converters/ckr_utils.h, + src/converters/config.h, src/converters/writelog.cpp, + src/oneD/StFlow.cpp, src/transport/Makefile.in, + src/zeroD/Makefile.in, src/zeroD/flowControllers.h: merged + changes from branch + +2005-01-07 01:58 dggoodwin + + * Cantera/src/MultiPhase.cpp: initial import + +2005-01-07 01:55 dggoodwin + + * Cantera/: src/PureFluidPhase.cpp, src/PureFluidPhase.h, + src/ThermoFactory.cpp, clib/src/ct.cpp, python/Cantera/num.py: + changed class PureFluid to PureFluidPhase + +2005-01-07 01:46 dggoodwin + + * Cantera/cxx/include/PureFluid.h: merged from branch + +2005-01-07 01:43 dggoodwin + + * Cantera/cxx/include/PureFluid.h: initial import + +2005-01-07 01:39 dggoodwin + + * Cantera/cxx/demos/: Makefile.install, rankine.cpp: added open + rankine example + +2005-01-06 15:42 dggoodwin + + * config.h, winconfig.h, Cantera/python/Cantera/num.py, + Cantera/src/config.h: cleanup + +2005-01-06 15:30 dggoodwin + + * Cantera/cxx/demos/flamespeed.cpp, + examples/cxx/transport_example1.cpp: minor cleanup + +2005-01-06 04:49 dggoodwin + + * ChangeLog, README.txt, Cantera/clib/src/ctmultiphase.cpp, + Cantera/cxx/demos/flamespeed.cpp, + Cantera/python/Cantera/__init__.py, + Cantera/python/examples/flame1.py, + Cantera/python/examples/flame2.py, + Cantera/python/examples/npflame1.py, + Cantera/python/examples/stflame1.py, Cantera/src/ChemEquil.h, + Cantera/src/Makefile.in, Cantera/src/MultiPhaseEquil.cpp, + Cantera/src/ct2ctml.cpp, Cantera/src/ctvector.cpp, + Cantera/src/oneD/StFlow.cpp, examples/cxx/transport_example1.cpp, + ext/tpx/Sub.cpp: trunk changes merged into branch + +2005-01-06 04:32 dggoodwin + + * test_problems/silane_equil/output_blessed.txt: updated blessed + output due to format change + +2005-01-06 03:59 dggoodwin + + * Cantera/python/Cantera/: Mixture.py, mixture.py: re-added + +2005-01-06 03:58 dggoodwin + + * Cantera/python/Cantera/: Mixture.py, __init__.py, num.py, + solve.py, units.py, OneD/__init__.py: merged trunk + +2005-01-06 03:09 dggoodwin + + * Cantera/src/ctvector.cpp: fixed memory leak in operator= + +2005-01-06 03:08 dggoodwin + + * Cantera/src/oneD/StFlow.cpp: fixed memory leak in showSolution + +2005-01-05 13:04 dggoodwin + + * README.txt, config.h, Cantera/clib/src/ctmultiphase.cpp, + Cantera/python/Cantera/__init__.py, + Cantera/python/Cantera/solve.py, Cantera/python/Cantera/units.py, + Cantera/python/Cantera/OneD/__init__.py, + Cantera/python/examples/flame1.py, + Cantera/python/examples/flame2.py, + Cantera/python/examples/npflame1.py, + Cantera/python/examples/stflame1.py, Cantera/src/ChemEquil.h, + Cantera/src/Makefile.in, Cantera/src/MultiPhase.h, + Cantera/src/MultiPhaseEquil.cpp, Cantera/src/config.h, + Cantera/src/ct2ctml.cpp, examples/cxx/transport_example1.cpp: + minor cleanup + +2005-01-05 04:36 dggoodwin + + * INSTALLING, README, README.txt: removed unneeded files + +2005-01-04 17:28 dggoodwin + + * ext/tpx/Sub.cpp: fixed problem with starting guess for T in Tsat + that caused an exception with T > Tcrit on entry + +2005-01-04 17:04 hkmoffa + + * win32/vc7/cvode/.cvsignore: Added a directory name + +2005-01-04 17:03 hkmoffa + + * win32/vc7/.cvsignore: added a file name + +2005-01-04 17:01 hkmoffa + + * win32/vc7/: transport/.cvsignore, oneD/.cvsignore: Added a + directory + +2005-01-04 17:00 hkmoffa + + * win32/vc7/SetupCantera/.cvsignore: Adding the .cvsignore file + +2005-01-04 16:58 hkmoffa + + * win32/vc7/clib/: .cvsignore, clib.vcproj: Changed the library + paths in the Debug and Release versions. + +2005-01-04 16:54 hkmoffa + + * win32/vc7/ctmatlab/: .cvsignore, runmlab.cmd: changed forward + slashes into backslashes. + +2005-01-04 16:46 hkmoffa + + * win32/vc7/ctpython/: .cvsignore, ctpython.vcproj, runpython.cmd: + changed runpython.cmd to use backslashes. + +2005-01-04 14:28 hkmoffa + + * win32/vc7/SetupCantera/SetupCantera.vdproj: Changed LF's to + CR-LF's in the entire file. mcvc++ was having trouble reading the + file with just LF's. + +2005-01-04 14:23 hkmoffa + + * win32/vc7/SetupCantera/SetupCantera.vdproj: Changed LF's into + CR-LF's in this file. This was causing msvc++ not to be able to + load the file, at least for me. + +2005-01-04 12:32 hkmoffa + + * Cantera/src/transport/Makefile.in: New Makefile Format: + Installs .h files and libs at the same time. + +2005-01-04 12:30 hkmoffa + + * Cantera/src/zeroD/Makefile.in: New Makefile format: installs + .h files and libs at the same time. + +2005-01-03 15:40 hkmoffa + + * Cantera/python/Cantera/__init__.py: Took out the reference to + ctdata. ATM, this causes all python jobs to fail. + +2005-01-03 15:12 hkmoffa + + * Cantera/src/ct2ctml.cpp: ifdeffed out a static function that was + not used. + +2004-12-18 07:16 dggoodwin + + * Cantera/src/converters/: CKParser.cpp, CKReader.h, config.h: + minor cleanup + +2004-12-15 22:56 dggoodwin + + * Cantera/src/MultiPhase.cpp: initial import + +2004-12-13 10:38 dggoodwin + + * win32/vc7/demos/: CanteraDemos.sln, ReadMe.txt, demo.vcproj: + initial import + +2004-12-13 06:58 dggoodwin + + * tools/bin/cvs2cl.pl: updated version + +2004-12-13 06:42 dggoodwin + + * configure, Cantera/src/MultiPhase.h, config/configure, + config/configure.in: misc cleanup + +2004-12-13 06:36 dggoodwin + + * Makefile.in: added test export-win + +2004-12-10 11:36 dggoodwin + + * Cantera/python/Cantera/OneD/: BurnerDiffFlame.py, BurnerFlame.py, + CounterFlame.py, StagnationFlow.py, onedim.py: modified python + files to use either numarray or Numeric + +2004-12-10 11:32 dggoodwin + + * Cantera/python/: Cantera/Func.py, Cantera/Kinetics.py, + Cantera/Mixture.py, Cantera/Phase.py, Cantera/Reactor.py, + Cantera/SurfacePhase.py, Cantera/ThermoPhase.py, + Cantera/Transport.py, Cantera/excel.py, Cantera/schem.py, + Cantera/solve.py, Cantera/stoich.py, Cantera/tecplot.py, + examples/isentropic.py: modified python files to use either + numarray or Numeric + +2004-12-09 14:10 dggoodwin + + * Cantera/src/: MultiPhase.h, MultiPhaseEquil.cpp, + MultiPhaseEquil.h: fixed convergence problem in MultiPhaseEquil + +2004-12-02 08:48 dggoodwin + + * data/inputs/: graphite.cti, silicon.cti, silicon_carbide.cti: + initial import + +2004-12-01 15:01 dggoodwin + + * config.h.in, Cantera/clib/src/Makefile.in, + Cantera/clib/src/ctmultiphase.cpp, + Cantera/clib/src/ctmultiphase.h, + Cantera/cxx/include/equilibrium.h, + Cantera/python/Cantera/Mixture.py, + Cantera/python/src/ctmultiphase_methods.cpp, + Cantera/python/src/methods.h, Cantera/python/src/pycantera.cpp, + Cantera/src/DenseMatrix.cpp, Cantera/src/Makefile.in, + Cantera/src/phasereport.cpp: support for multiphase equilibrium + +2004-12-01 14:57 dggoodwin + + * Cantera/src/: MultiPhaseEquil.h, MultiPhaseEquil.cpp: support for + multiphase equilibrium + +2004-12-01 14:56 dggoodwin + + * Cantera/src/MultiPhase.h: multiphase mixtures + +2004-11-23 19:08 dggoodwin + + * Cantera/src/importCTML.cpp: changed buildSolutionFromXML to use + get_XML_NameID instead of get_XML_Node + +2004-11-15 14:07 hkmoffa + + * win32/vc7/ck2cti/ck2cti.vcproj: use debug libraries on debug + version. + +2004-11-15 14:05 hkmoffa + + * win32/vc7/diamondSurf/diamondSurf.vcproj: ignored msvct default + library + +2004-11-15 14:03 hkmoffa + + * win32/vc7/cantera/cantera.vcproj: Dos format + +2004-11-15 13:41 hkmoffa + + * win32/vc7/clib/clib.vcproj: For the debug dll, you have to + compile with debug libraries. + +2004-11-15 12:52 hkmoffa + + * Cantera/clib/src/ct.cpp: Added a static_cast. + +2004-11-15 12:51 hkmoffa + + * Cantera/clib/src/ct.cpp: Added a return statement. + +2004-11-14 19:17 dggoodwin + + * Cantera/cxx/demos/flamespeed.cpp: initial import + +2004-11-14 18:33 dggoodwin + + * Makefile.in, configure, Cantera/cxx/include/equilibrium.h, + Cantera/fortran/src/Makefile.in, Cantera/python/ctml_writer.py, + Cantera/src/ChemEquil.cpp, Cantera/src/ChemEquil.h, + Cantera/src/ct_defs.h, Cantera/src/ctvector.cpp, + Cantera/src/ctvector.h, config/configure, config/configure.in, + ext/tpx/RedlichKwong.cpp: changed f90 mod file handling in + Makefiles + +2004-11-12 15:37 dggoodwin + + * Cantera/src/oneD/: Domain1D.h, Sim1D.cpp, Sim1D.h, StFlow.cpp, + StFlow.h, boundaries1D.cpp: changes by Karl Meredith to implement + adiabatic, freely-propagating flames + +2004-11-02 02:23 dggoodwin + + * Cantera/src/: ImplicitChem.h, ImplicitChem.cpp: re-added file + +2004-10-19 03:47 dggoodwin + + * Cantera/src/xml.h: added 'const' to 'write' + +2004-10-19 03:44 dggoodwin + + * Cantera/src/xml.cpp: changed exception XML_NoChild to print + offending XML_Node. + +2004-10-19 03:43 dggoodwin + + * Cantera/src/transport/TransportFactory.cpp: changed reading of + transport data from XML tree so that species with no transport + data (e.g. surface species) do not cause an exception to be + thrown because the have no 'transport' child element. + +2004-10-18 12:52 hkmoffa + + * bin/install_tsc.in: Check for destination directory existing. + +2004-10-16 04:09 dggoodwin + + * win32/vc7/SetupCantera/SetupCantera.vdproj: initial import + +2004-10-16 03:12 dggoodwin + + * Cantera/python/winsetup.py: initial import + +2004-10-15 16:10 dggoodwin + + * Cantera/: src/ct2ctml.cpp, src/global.h, src/logger.h, + src/misc.cpp, matlab/cantera/private/ctmethods.cpp, + matlab/cantera/private/mllogger.h, python/src/pycantera.cpp, + python/src/pylogger.h, python/src/pyutils.h, + python/src/writelog.cpp: added environment-specific classes to + write log files + +2004-10-13 21:24 dggoodwin + + * tools/src/: package4mac.in, postflight: Mac install script + +2004-10-12 06:56 dggoodwin + + * win32/vc7/: cantera.sln, cantera_examples.sln, + cantera/cantera.vcproj, ck2cti/ck2cti.vcproj, clib/clib.vcproj, + converters/converters.vcproj, cti2ctml/cti2ctml.vcproj, + cvode/cvode.vcproj, cxxutils/cxxutils.vcproj, + f2c_blas/f2c_blas.vcproj, f2c_lapack/f2c_lapack.vcproj, + f2c_libs/f2c_libs.vcproj, f2c_math/f2c_math.vcproj, + f2c_recipes/f2c_recipes.vcproj, oneD/oneD.vcproj, + silane_equil/silane_equil.vcproj, tpx/tpx.vcproj, + transport/transport.vcproj, zeroD/zeroD.vcproj: added ctpython, + changed c libs to multithreaded DLL, changed properties for + release version + +2004-10-12 06:55 dggoodwin + + * win32/vc7/ctpython/: ctpython.vcproj, runpython.cmd: files to + build the Python interface within Visual Studio + +2004-10-11 07:36 dggoodwin + + * win32/vc7/: cantera.sln, cantera/cantera.vcproj, + cvode/cvode.vcproj, f2c_arithchk/f2c_arithchk.vcproj, + f2c_blas/f2c_blas.vcproj, f2c_lapack/f2c_lapack.vcproj, + f2c_libs/f2c_libs.vcproj, f2c_math/f2c_math.vcproj, + f2c_recipes/f2c_recipes.vcproj, tpx/tpx.vcproj, + transport/transport.vcproj: bug fixes + +2004-10-10 13:46 dggoodwin + + * config.h.in, Cantera/src/DenseMatrix.cpp, + Cantera/src/GasKinetics.cpp, Cantera/src/ctvector.cpp, + Cantera/src/ctvector.h, Cantera/src/converters/CKParser.cpp, + Cantera/src/converters/writelog.cpp, Cantera/src/oneD/StFlow.cpp, + Cantera/src/transport/TransportFactory.cpp, + Cantera/src/transport/TransportParams.h, ext/f2c_libs/f2c.h, + ext/f2c_recipes/simplx.c: changes to make type integer compatible + with f2c + +2004-10-10 05:11 dggoodwin + + * Cantera/src/importCTML.cpp: moved arrays used to check for dup + rxns into a class to avoid problems with initialization on some + systems (FreeBSD) + +2004-10-10 05:09 dggoodwin + + * Cantera/src/: global.h, misc.cpp: added sleep function + +2004-10-10 05:09 dggoodwin + + * Cantera/src/ct2ctml.cpp: added sleep before call to python + +2004-10-09 11:58 dggoodwin + + * ext/tpx/RedlichKwong.h: removed use of pow + +2004-10-09 11:55 dggoodwin + + * ext/tpx/RedlichKwong.cpp: eliminated use of pow + +2004-10-09 08:45 dggoodwin + + * ext/tpx/: RedlichKwong.cpp, RedlichKwong.h: initial import + +2004-10-09 08:27 dggoodwin + + * tools/bin/cvs2cl.pl: initial import + +2004-10-09 08:21 dggoodwin + + * Cantera/python/Cantera/Transport.py: added method molarFluxes + +2004-10-09 08:19 dggoodwin + + * Cantera/python/Cantera/SurfacePhase.py: minor cleanup + +2004-10-09 08:18 dggoodwin + + * Cantera/python/src/pyutils.h: corrected problem with truncation + of error messages + +2004-10-09 08:17 dggoodwin + + * Cantera/python/src/cttransport_methods.cpp: added + py_getMolarFluxes + +2004-10-09 08:15 dggoodwin + + * Cantera/python/Cantera/ThermoPhase.py: added import statement + +2004-10-09 08:13 dggoodwin + + * Cantera/matlab/: Makefile.in, cantera/examples/rankine.m, + cantera/private/ctfunctions.cpp, cantera/private/ctmatutils.h, + cantera/private/phasemethods.cpp, + cantera/private/thermomethods.cpp: added support for exceptions + from tpx + +2004-10-09 08:07 dggoodwin + + * Cantera/src/: Phase.h, Phase.cpp: added const in restoreState + +2004-10-09 08:05 dggoodwin + + * Cantera/src/transport/TransportFactory.cpp: minor cleanup + +2004-10-09 08:03 dggoodwin + + * Cantera/src/transport/: MultiTransport.h, MultiTransport.cpp: + added methods getMolarFluxes and getMassFluxes + +2004-10-09 08:00 dggoodwin + + * Cantera/src/: importCTML.cpp, xml.cpp: cleanup + +2004-10-09 07:58 dggoodwin + + * Cantera/src/misc.cpp: moved exception constructor definitions + here from ctexceptions.h + +2004-10-09 07:57 dggoodwin + + * Cantera/src/ctexceptions.h: moved constructor definitions to + misc.cpp + +2004-10-09 07:55 dggoodwin + + * Cantera/src/funcs.cpp: added include file + +2004-10-09 07:48 dggoodwin + + * Cantera/src/PureFluidPhase.cpp: moved most method definitions + here from header file. + +2004-10-09 07:47 dggoodwin + + * Cantera/src/PureFluidPhase.h: moved most method definitions to + PureFluidPhase.cpp + +2004-10-08 10:09 hkmoffa + + * Cantera/src/transport/TransportParams.h: Added an include for + XML_Writer.h + +2004-10-08 10:09 hkmoffa + + * Cantera/src/transport/MMCollisionInt.cpp: Added an XML_writer + include + +2004-10-05 10:56 dggoodwin + + * ext/tpx/Sub.h: added exceptions for error handling + +2004-10-05 10:55 dggoodwin + + * ext/tpx/Sub.cpp: Added exceptions to handle errors. + +2004-10-05 09:20 hkmoffa + + * config/configure.in: Added rule to make bin/install_tsc + +2004-10-05 09:15 hkmoffa + + * bin/: .cvsignore, install_tsc.in: Utility script to install a + header file, only if the modified date has changed. + +2004-10-03 01:30 dggoodwin + + * Cantera/src/XML_Writer.h: initial import + +2004-10-03 01:28 dggoodwin + + * Cantera/src/transport/TransportBase.h: added method getMassFluxes + +2004-10-03 01:24 dggoodwin + + * Cantera/src/xml.h: removed class XML_Writer + +2004-10-03 00:41 dggoodwin + + * Cantera/src/xml.cpp: added line numbers to exception error + messages + +2004-10-02 00:25 dggoodwin + + * Cantera/src/ct2ctml.cpp: minor cleanup + +2004-10-01 12:38 hkmoffa + + * Cantera/matlab/.cvsignore: Added a file. + +2004-10-01 12:37 hkmoffa + + * Cantera/matlab/setup_winmatlab.py: Removing a file that gets + automatically created during the configuration process. + +2004-10-01 12:34 hkmoffa + + * Makefile.in: Took out automatic deletion of static libraries at + the beginning of every make operation. + +2004-10-01 12:31 hkmoffa + + * config/configure.in: Added more handling of the PYTHON_CMD + variable. + +2004-10-01 12:30 hkmoffa + + * configure: Uncommented out PYTHON_CMD. It's now set to + "default", if unspecified. Then, this default is treated in + config/configure with special code. + +2004-09-24 13:35 hkmoffa + + * win32/vc7/configure.vc++: Added the USE_DLL environmental + variable. + +2004-09-24 13:16 hkmoffa + + * Makefile.in, configure: Added USE_DLL variable and its controls. + Takes care of a bug that krept in for compiles with MSVC++v.6.0 + while trying to stand up MSVC++v7.0 compiles. + +2004-09-24 13:15 hkmoffa + + * config/configure.in: Added USE_CLIB_DLL evaluation. + +2004-09-24 13:14 hkmoffa + + * Cantera/python/Makefile.in: took care of problem with clib.dll + for MSVC6.0 + +2004-09-24 10:24 hkmoffa + + * win32/README: Added another step, involving setting up paths and + environmental variables. + +2004-09-20 03:18 dggoodwin + + * Cantera/src/: EdgeKinetics.cpp, EdgeKinetics.h, ReactionData.h, + importCTML.cpp, converters/ck2ct.cpp: added ability to specify + beta for charge transfer reactions + +2004-09-16 15:08 hkmoffa + + * Makefile.in: Added dll install + +2004-09-16 15:07 hkmoffa + + * win32/README: Added another step. + +2004-09-16 14:43 hkmoffa + + * test_problems/python/runtest: Fixed an error in the default + specifation of python executable + +2004-09-16 10:57 hkmoffa + + * tools/src/ck2cti.cpp: Added an id string. + +2004-09-16 10:54 hkmoffa + + * win32/vc7/cantera.sln: Added a few more dependencies to sln file. + +2004-09-16 10:54 hkmoffa + + * win32/vc7/ck2cti/ck2cti.vcproj: Fixed an error. + +2004-09-16 10:53 hkmoffa + + * win32/vc7/cvode/cvode.vcproj: Changed an absolute pathname into a + relative pathname. + +2004-09-16 10:52 hkmoffa + + * test_problems/: diamondSurf/Makefile.in, + silane_equil/Makefile.in, surfkin/Makefile.in: turned off + automatic compilation during make test for windows machines. + +2004-09-16 10:51 hkmoffa + + * test_problems/cxx_ex/: .cvsignore, gri30.xml, + kin1_blessed_win.csv, kin2_blessed_win.csv, runtest, silane.xml: + Made the blessed files machine dependent for this test. + +2004-09-16 10:30 hkmoffa + + * test_problems/ck2cti_test/gri30_tran.dat: Changed a LJ value to + prevent roundoff error from leading to an error failure + +2004-09-16 10:13 hkmoffa + + * test_problems/ck2cti_test/: .cvsignore, runtest.in: Added a step + to change 3 exponent expressions into 2 exponenet expressions. + +2004-09-16 10:06 hkmoffa + + * Cantera/src/converters/ck2ct.cpp: Took out a print statement that + was causing a test to fail. + +2004-09-02 13:57 hkmoffa + + * win32/vc7/configure.vc++: Took out HKM comments + +2004-09-02 13:48 hkmoffa + + * win32/README: Added a cd command. + +2004-08-28 09:13 dggoodwin + + * tools/bin/erase: script to remove a file from the repository + +2004-08-28 09:12 dggoodwin + + * Cantera/src/: ArrayViewer.h, DenseMatrix.cpp, EdgeKinetics.h, + GRI_30_Kinetics.h, GasKineticsWriter.h, InterfaceKinetics.h, + PureFluidPhase.h, ReactionStoichMgr.h, SimpleThermo.h, + SpeciesThermoMgr.h, StoichManager.h, StoichSubstance.h, + ThermoPhase.h, newton_utils.cpp, converters/CKParser.cpp, + converters/Group.h, converters/Reaction.h, + converters/atomicWeightDB.cpp, converters/config.h, + converters/filter.cpp, converters/thermoFunctions.cpp, + oneD/Jac1D.h, oneD/Newton1D.h, oneD/Solid1D.cpp, + oneD/newton_utils.cpp, zeroD/Reactor.cpp, zeroD/Reservoir.h: + cleanup + +2004-08-27 13:37 hkmoffa + + * .cvsignore: Added 2 files. + +2004-08-27 13:35 hkmoffa + + * bin/.cvsignore: added some windows tmp files + +2004-08-27 13:29 hkmoffa + + * win32/README: Added detailed instructions for vc7 + +2004-08-27 13:26 hkmoffa + + * win32/vc7/: .cvsignore, cantera.sln, cantera_examples.sln, + csvdiff/.cvsignore, csvdiff/csvdiff.vcproj, + cxx_examples/.cvsignore, cxx_examples/cxx_examples.vcproj: Second + generation of vc7 port. + +2004-08-27 13:21 hkmoffa + + * test_problems/python/runtest: Currently, linux and MSVC are + producing the same results on this test problem. I changed + runtest to substitute the right machine dependent blessed file. + +2004-08-27 13:08 hkmoffa + + * tools/testtools/: csvdiff.cpp, mdp_allo.cpp, mdp_allo.h: Changes + to support MSVC + +2004-08-27 13:03 hkmoffa + + * tools/testtools/csvdiff.cpp: Added a getopt() capability for + WINMSC + +2004-08-27 09:45 hkmoffa + + * config/configure.in: Added a default 0 to BUILD_PARTICLES value + +2004-08-27 08:42 hkmoffa + + * win32/vc7/configure.vc++: Initial commit + +2004-08-10 13:39 hkmoffa + + * test_problems/python/: .cvsignore, flame1_blessed_linux.csv, + runtest: Added a machine dependent blessed file capability + +2004-08-10 11:18 hkmoffa + + * config/configure.in: Added support for the new python_win_prefix + variable. -> This needs to be backslashed. -> all other + variables on all other platforms (and on OS_IS_WIN) need to + be forward slashed. + +2004-08-10 11:16 hkmoffa + + * Cantera/python/Makefile.in: added python_win_prefix variable. On + windows this needs to be a backslash, unlike all the other + variables which need to be regular slashes. Therefore, I had to + create a new variable to do this. + +2004-08-10 10:28 hkmoffa + + * config/configure.in: Several changes: CYGWIN is now undefined, + not just 0 WINMSVC is now undefined, not just 0 + + OS_IS_CYGWIN is now 0 when OS_IS_WIN = 1 + +2004-08-09 18:31 hkmoffa + + * .cvsignore: added a dir. + +2004-08-09 18:29 hkmoffa + + * test_problems/python/runtest: Tried to add a default $1, so that + it runs like all the rest. + +2004-08-09 18:15 hkmoffa + + * Cantera/python/.cvsignore: added a file. + +2004-08-09 18:12 hkmoffa + + * tools/src/cti2ctml.cpp: MSVC warning message + +2004-08-09 18:11 hkmoffa + + * examples/cxx/: example_utils.h, examples.cpp: MSVC experienced an + error on this code. fixed it. + +2004-08-09 18:09 hkmoffa + + * config/: .cvsignore, configure.in: arith.h needs to be created + for win + +2004-08-09 18:08 hkmoffa + + * Cantera/python/Makefile.in: clib.dll needs to be copied by hand + +2004-08-09 18:06 hkmoffa + + * test_problems/diamondSurf/: .cvsignore, runtest: MSVC differences + no longer matter. + +2004-08-09 18:01 hkmoffa + + * Cantera/.cvsignore: Added a file. + +2004-08-09 18:00 hkmoffa + + * bin/get_arch: Added cygwin support + +2004-08-09 17:23 hkmoffa + + * ext/f2c_libs/: .cvsignore, arith.hwin32: added a file. + +2004-08-09 17:22 hkmoffa + + * ext/f2c_libs/f2c.h: Added windows specific definition block + +2004-08-09 17:20 hkmoffa + + * ext/f2c_lapack/dlamch.c: Added a stdio.h reference. + +2004-08-09 17:18 hkmoffa + + * win32/vc7/: .cvsignore, cantera.sln, cantera/.cvsignore, + cantera/cantera.vcproj, ck2cti/.cvsignore, ck2cti/ck2cti.vcproj, + clib/.cvsignore, clib/clib.vcproj, converters/.cvsignore, + converters/converters.vcproj, cti2ctml/.cvsignore, + cti2ctml/cti2ctml.vcproj, cvode/.cvsignore, cvode/cvode.vcproj, + cxxutils/.cvsignore, cxxutils/cxxutils.vcproj, + diamondSurf/.cvsignore, diamondSurf/diamondSurf.vcproj, + f2c_arithchk/.cvsignore, f2c_arithchk/f2c_arithchk.vcproj, + f2c_blas/.cvsignore, f2c_blas/f2c_blas.vcproj, + f2c_lapack/.cvsignore, f2c_lapack/f2c_lapack.vcproj, + f2c_libs/.cvsignore, f2c_libs/f2c_libs.vcproj, + f2c_math/.cvsignore, f2c_math/f2c_math.vcproj, + f2c_recipes/.cvsignore, f2c_recipes/f2c_recipes.vcproj, + oneD/.cvsignore, oneD/oneD.vcproj, pycantera/.cvsignore, + pycantera/pycantera.vcproj, silane_equil/.cvsignore, + silane_equil/silane_equil.vcproj, surfkin/.cvsignore, + surfkin/surfkin.vcproj, tpx/.cvsignore, tpx/tpx.vcproj, + transport/.cvsignore, transport/transport.vcproj, + zeroD/.cvsignore, zeroD/zeroD.vcproj: First commit of vc7 project + files. + +2004-08-09 16:58 hkmoffa + + * test_problems/silane_equil/: .cvsignore, runtest: MSVS + differences are now eliminated via a sed script. + +2004-08-09 16:45 hkmoffa + + * bin/exp3to2.sh: new shell script used for test programs. + +2004-08-09 15:21 hkmoffa + + * test_problems/surfkin/: .cvsignore, runtest: added -w option to + diff, so that dos unix text file differences aren't important. + +2004-08-09 15:06 hkmoffa + + * test_problems/diamondSurf/.cvsignore: Added pc file. + +2004-08-09 14:28 hkmoffa + + * ext/f2c_blas/xerbla.c: added an include + +2004-08-09 13:51 hkmoffa + + * ext/f2c_libs/signal1.h: added this file for convenience + +2004-08-09 13:17 hkmoffa + + * ext/f2c_libs/sysdep1.h: Added this file in. It is recreated + during linux makes, but vc++ makes don't create it. + +2004-08-09 10:41 hkmoffa + + * config/configure.in: Changed cygpath -a -w to cygpath -a -m. This + causes backslashes to be replaced with regular slashes. + Backslashes in strings were causing a lot of problems, as they + are interpreted as escape sequences. Regular slashes in c++ on + the pc operate just like backslashes in all cases. + +2004-08-09 10:38 hkmoffa + + * Cantera/src/ct2ctml.cpp: Got rid of msvc++ warning message. + +2004-08-09 09:54 hkmoffa + + * Cantera/.cvsignore: added cads + +2004-08-09 09:50 hkmoffa + + * test_problems/surfkin/.cvsignore: Added files + +2004-08-09 08:12 hkmoffa + + * Cantera/python/tutorial/.cvsignore: Changed the name of a file. + +2004-08-09 08:11 hkmoffa + + * Cantera/python/tutorial/.cvsignore: Added a file + +2004-08-08 22:10 dggoodwin + + * Makefile.in, configure, Cantera/fortran/src/Makefile.in, + Cantera/python/setup.py.in, Cantera/src/DenseMatrix.cpp, + Cantera/src/DenseMatrix.h, Cantera/src/ctlapack.h, + Cantera/src/ctvector.cpp, Cantera/src/ctvector.h, + Cantera/src/misc.cpp, config/configure, config/configure.in, + ext/math/fdump.f: improvements to the configuration process + +2004-08-06 16:29 hkmoffa + + * win32/vc6/: cantera.dsw, all/all.dsp, blas/blas.dsp, + cantera/cantera.dsp, cantera_examples/cantera_examples.dsw, + ck2cti/ck2cti.dsp, ckreader/ckreader.dsp, clib/clib.dsp, + converters/converters.dsp, ct/ct.dsp, ctmath/ctmath.dsp, + ctsetup/ctsetup.dsp, cvode/cvode.dsp, cxxutils/cxxutils.dsp, + cxxutils/cxxutils.mak, lapack/lapack.dsp, oneD/oneD.dsp, + recipes/recipes.dsp, tpx/tpx.dsp, tpx/tpx.mak, + transport/transport.dsp, zeroD/zeroD.dsp: Duplicating existing + structure in the new module. However, it's one directory deeper. + +2004-08-06 16:09 hkmoffa + + * test_problems/surfkin/surfdemo.cpp: Added a return statement. + +2004-08-06 16:00 hkmoffa + + * ext/tpx/ck_gas.h: fixed a few vc++ errors. + +2004-08-06 15:54 hkmoffa + + * Cantera/src/ct2ctml.cpp: added some more debugging stuff. + +2004-08-06 15:23 hkmoffa + + * ext/f2c_libs/Makefile.in: Fixed an error on cygwin + +2004-08-06 14:56 hkmoffa + + * ext/math/Makefile.in: Added the all: target. + +2004-08-06 14:53 hkmoffa + + * config/configure.in, configure: Added support for build_with_f2c. + +2004-08-06 14:52 hkmoffa + + * ext/: Makefile.in, blas/Makefile.in, cvode/Makefile.in, + f2c_blas/Makefile.in, f2c_libs/Makefile.in, f2c_math/Makefile.in, + lapack/Makefile.in, tpx/.cvsignore, tpx/Makefile.in: Fixed + makefiles within the ext directory. Added support for + build_with_f2c. + +2004-08-06 14:50 hkmoffa + + * ext/recipes/Makefile.in: Added a depends rule + +2004-08-06 14:31 hkmoffa + + * config/.cvsignore: Added a dir. + +2004-08-06 14:29 hkmoffa + + * examples/cxx/.cvsignore: Added more files. + +2004-08-06 14:05 hkmoffa + + * tools/templates/f90/.cvsignore: Started this file. + +2004-08-06 14:03 dggoodwin + + * Makefile.in: fixed Fortran module install bug + +2004-08-06 14:01 hkmoffa + + * Cantera/python/examples/.cvsignore: Added this file. + +2004-08-06 14:00 hkmoffa + + * examples/cxx/.cvsignore: Added 3 files. + +2004-08-06 13:58 hkmoffa + + * apps/MixMaster/: .cvsignore, Units/.cvsignore: Added *.pyc rule + to .cvsignore + +2004-08-06 13:56 hkmoffa + + * Cantera/user/.cvsignore: Added Makefile. + +2004-08-06 13:55 hkmoffa + + * Cantera/fortran/src/Makefile.in: Changed the suffix rule format. + +2004-08-06 13:51 hkmoffa + + * Cantera/src/: ct2ctml.cpp, misc.cpp: Added the "sleep" system + command buf fix for the cygwin environment. Added debugging + printouts for the DEFINE DEBUG_PATH. + +2004-08-06 13:31 hkmoffa + + * Cantera/src/Makefile.in: Added a commented out capability to turn + on DEBUG_PATHS, which is used to debug IO data issues. + +2004-08-06 13:29 hkmoffa + + * config.h.in: Added 2 defs: CYGWIN WINMSVC to indicate + environments. Used to support putting in sleep commands into + ct2ctml. + +2004-08-06 13:26 hkmoffa + + * test_problems/: cxx_ex/.cvsignore, surfkin/.cvsignore, + surfkin/surfdemo.cpp: Changed required file from gri30.xml to + gri30.cti. + +2004-08-06 13:25 hkmoffa + + * test_problems/python/.cvsignore: Added a file. + +2004-08-06 13:22 hkmoffa + + * config/configure.in: Added a check to see if the fortran 90 + compiler is available. Added a few defines to config.h. This is + needed to implement the fix to the directory sync problem I found + on cygwin. + +2004-08-06 08:45 hkmoffa + + * Cantera/src/Makefile.in: Fixed the format of the SUFFIX makefile + command. + +2004-08-05 14:32 hkmoffa + + * bin/get_arch: Simple shell script to return the architecture. It + is to be used on test problems which produce slightly different + results on different platforms. + +2004-08-05 12:25 hkmoffa + + * ext/cvode/source/nvector.c: Added brackets. + +2004-08-05 12:23 hkmoffa + + * ext/math/Makefile.in: Fixed the SUFFIX object + +2004-08-05 12:22 hkmoffa + + * ext/math/mach.cpp: Added a _i1mach_ target + +2004-08-05 12:16 hkmoffa + + * ext/f2c_blas/Makefile.in: Slight change + +2004-08-05 12:15 hkmoffa + + * ext/f2c_math/: .cvsignore, Makefile.in, cblas.h, daux.c, + ddaspk.c, dgbefa.c, dgbsl.c, dgefa.c, dgesl.c, dp1vlu.c, + dpcoef.c, dpolft.c, fdump.c, gmres.h, idamax.c, j4save.c, + mach.cpp, mkl_cblas.h, pcoef.c, polfit.c, pvalue.c, xercnt.c, + xerhlt.c, xermsg.c, xerprn.c, xersve.c, xgetua.c: First commit of + this directory + +2004-08-05 10:51 hkmoffa + + * ext/f2c_blas/blaswrap.h: Added a file. + +2004-08-05 10:49 hkmoffa + + * ext/f2c_blas/: .cvsignore, Makefile.in, dasum.c, daxpy.c, + dcabs1.c, dcopy.c, ddot.c, dgbmv.c, dgemm.c, dgemv.c, dger.c, + dnrm2.c, drot.c, drotg.c, drotm.c, drotmg.c, dsbmv.c, dscal.c, + dsdot.c, dspmv.c, dspr.c, dspr2.c, dswap.c, dsymm.c, dsymv.c, + dsyr.c, dsyr2.c, dsyr2k.c, dsyrk.c, dtbmv.c, dtbsv.c, dtpmv.c, + dtpsv.c, dtrmm.c, dtrmv.c, dtrsm.c, dtrsv.c, dzasum.c, dznrm2.c, + idamax.c, isamax.c, lsame.c, xerbla.c: First commit for this + directory + +2004-08-05 10:24 hkmoffa + + * ext/f2c_lapack/: .cvsignore, Makefile.in, blaswrap.h, dbdsqr.c, + dgbrfs.c, dgbsv.c, dgbsvx.c, dgbtf2.c, dgbtrf.c, dgbtrs.c, + dgebak.c, dgebal.c, dgebd2.c, dgebrd.c, dgelq2.c, dgelqf.c, + dgels.c, dgelsd.c, dgelss.c, dgelsx.c, dgelsy.c, dgeqr2.c, + dgeqrf.c, dgetf2.c, dgetrf.c, dgetri.c, dgetrs.c, dlabad.c, + dlabrd.c, dlacpy.c, dlamch.c, dlange.c, dlapy2.c, dlarf.c, + dlarfb.c, dlarfg.c, dlarft.c, dlartg.c, dlas2.c, dlascl.c, + dlaset.c, dlasq1.c, dlasq2.c, dlasq3.c, dlasq4.c, dlasq5.c, + dlasq6.c, dlasr.c, dlasrt.c, dlassq.c, dlasv2.c, dlaswp.c, + dorg2r.c, dorgbr.c, dorgl2.c, dorglq.c, dorgqr.c, dorm2r.c, + dormbr.c, dorml2.c, dormlq.c, dormqr.c, drscl.c, dtrti2.c, + dtrtri.c, ieeeck.c, ilaenv.c, lsame.c: First commit of this + directory + +2004-08-05 10:04 dggoodwin + + * Cantera/fortran/src/cantera_funcs.f90, + Cantera/fortran/src/fct.cpp, tools/templates/f90/demo.f90: minor + changes to fortran files + +2004-08-05 09:42 dggoodwin + + * configure, Cantera/matlab/setup_winmatlab.py, + Cantera/src/SpeciesThermoFactory.cpp, + Cantera/src/oneD/StFlow.cpp, Cantera/src/oneD/StFlow.h, + config/configure, config/configure.in: minor cleanup + +2004-08-04 17:18 hkmoffa + + * ext/f2c_libs/: .cvsignore, Makefile.in, abort_.c, arithchk.c, + backspac.c, c_abs.c, c_cos.c, c_div.c, c_exp.c, c_log.c, c_sin.c, + c_sqrt.c, cabs.c, close.c, d_abs.c, d_acos.c, d_asin.c, d_atan.c, + d_atn2.c, d_cnjg.c, d_cos.c, d_cosh.c, d_dim.c, d_exp.c, + d_imag.c, d_int.c, d_lg10.c, d_log.c, d_mod.c, d_nint.c, + d_prod.c, d_sign.c, d_sin.c, d_sinh.c, d_sqrt.c, d_tan.c, + d_tanh.c, derf_.c, derfc_.c, dfe.c, dolio.c, dtime_.c, due.c, + ef1asc_.c, ef1cmc_.c, endfile.c, erf_.c, erfc_.c, err.c, + etime_.c, exit_.c, f2c.h, f2c.h0, f2ch.add, f77_aloc.c, + f77vers.c, fio.h, fmt.c, fmt.h, fmtlib.c, fp.h, ftell64_.c, + ftell_.c, getarg_.c, getenv_.c, h_abs.c, h_dim.c, h_dnnt.c, + h_indx.c, h_len.c, h_mod.c, h_nint.c, h_sign.c, hl_ge.c, hl_gt.c, + hl_le.c, hl_lt.c, i77vers.c, i_abs.c, i_dim.c, i_dnnt.c, + i_indx.c, i_len.c, i_mod.c, i_nint.c, i_sign.c, iargc_.c, iio.c, + ilnw.c, inquire.c, l_ge.c, l_gt.c, l_le.c, l_lt.c, lbitbits.c, + lbitshft.c, lio.h, lread.c, lwrite.c, main.c, open.c, pow_ci.c, + pow_dd.c, pow_di.c, pow_hh.c, pow_ii.c, pow_qq.c, pow_ri.c, + pow_zi.c, pow_zz.c, qbitbits.c, qbitshft.c, r_abs.c, r_acos.c, + r_asin.c, r_atan.c, r_atn2.c, r_cnjg.c, r_cos.c, r_cosh.c, + r_dim.c, r_exp.c, r_imag.c, r_int.c, r_lg10.c, r_log.c, r_mod.c, + r_nint.c, r_sign.c, r_sin.c, r_sinh.c, r_sqrt.c, r_tan.c, + r_tanh.c, rawio.h, rdfmt.c, rewind.c, rsfe.c, rsli.c, rsne.c, + s_cat.c, s_cmp.c, s_copy.c, s_paus.c, s_rnge.c, s_stop.c, sfe.c, + sig_die.c, signal1.h0, signal_.c, signbit.c, sue.c, sysdep1.h0, + system_.c, typesize.c, uio.c, uninit.c, util.c, wref.c, wrtfmt.c, + wsfe.c, wsle.c, wsne.c, xwsne.c, z_abs.c, z_cos.c, z_div.c, + z_exp.c, z_log.c, z_sin.c, z_sqrt.c: First commit of f2c library + directory + +2004-08-04 16:57 hkmoffa + + * ext/f2c_recipes/: .cvsignore, Makefile.in, simp1.c, simp2.c, + simp3.c, simplx.c, splie2.c, splin2.c, spline.c, splint.c: + Initial commit of this directory. -> f2c option + +2004-08-04 04:21 dggoodwin + + * Cantera/fortran/src/: cantera_xml.f90, fctxml_interface.f90, + genf.py: XML module + +2004-08-03 13:49 hkmoffa + + * bin/rm_cvsignore: Added runtest to the list of files not to + whack. + +2004-08-03 13:21 hkmoffa + + * test_problems/Makefile.in: Added endif's. This was causing an + error exit. + +2004-08-03 09:32 dggoodwin + + * test_problems/silane_equil/output_blessed.txt: updated blessed + file due to change in warning output format + +2004-08-03 09:15 dggoodwin + + * test_problems/: Makefile.in, python/.cvsignore, + python/Makefile.in, python/diamond_blessed.csv, + python/flame1_blessed.csv, python/runtest: added Python test + problems + +2004-08-03 08:18 dggoodwin + + * Cantera/python/Cantera/OneD/BurnerDiffFlame.py: burner-stabilized + flame with reservoir outlet condition + +2004-08-03 04:16 dggoodwin + + * Makefile.in, configure, Cantera/cxx/src/writelog.cpp, + Cantera/matlab/cantera/ck2cti.m, + Cantera/matlab/cantera/private/write.cpp, + Cantera/python/src/writelog.cpp, Cantera/src/global.h, + config/configure, config/configure.in: cleanup + +2004-08-03 03:36 dggoodwin + + * Cantera/src/: IdealGasThermo.cpp, ImplicitChem.cpp, Makefile.in, + SolidCompound.cpp, importSurfChem.cpp, surfKinetics.cpp: cleanup + +2004-08-03 02:18 dggoodwin + + * win32/README: Initial revision + +2004-08-03 02:18 dggoodwin + + * win32/README: initial import + +2004-08-03 02:09 dggoodwin + + * Cantera/src/: Constituents.cpp, DenseMatrix.h, EOS_TPX.h, + EdgePhase.h, GRI30.h, IdealGasThermo.h, InterfaceKinetics.cpp, + Makefile.in, NasaThermo.h, ReactionData.h, Resid.h, RxnRates.h, + ShomateThermo.h, SimpleThermo.h, SolidCompound.h, + SpeciesThermo.h, SpeciesThermoFactory.cpp, SpeciesThermoMgr.h, + StoichManager.h, exceptions.h, fitPoly.h, pureSubstances.h, + surfKinetics.h, transportModels.h, xml.cpp: removed unused files + +2004-08-01 14:33 dggoodwin + + * Cantera/fortran/src/fctxml.cpp: initial import + +2004-08-01 09:43 dggoodwin + + * Cantera/matlab/cantera/@ThermoPhase/speciesIndex.m: added support + for cell arrays of species names + +2004-08-01 09:43 dggoodwin + + * Cantera/matlab/cantera/@ThermoPhase/elementIndex.m: added support + for cell arrays of element names + +2004-07-30 05:26 dggoodwin + + * Cantera/matlab/cantera/@ThermoPhase/elementName.m: fixed bug + +2004-07-29 15:31 dggoodwin + + * Cantera/src/: RateCoeffMgr.h, RxnRates.h, reaction_defs.h, + oneD/boundaries1D.cpp, zeroD/ReactorNet.cpp: added ArrheniusSum + class + +2004-07-29 15:22 dggoodwin + + * Cantera/python/src/: ctreactor_methods.cpp, methods.h: removed + time() methods for class Reactor and added them to class + ReactorNet + +2004-07-29 15:21 dggoodwin + + * Cantera/python/Cantera/Reactor.py: removed method Reactor.time(), + and added ReactorNet.time() + +2004-07-29 15:14 hkmoffa + + * test_problems/: Makefile.in, ck2cti_test/Makefile.in, + cxx_ex/Makefile.in, cxx_ex/gri30.xml, diamondSurf/Makefile.in, + silane_equil/.cvsignore, silane_equil/Makefile.in, + silane_equil/silane_equil.cpp, surfkin/Makefile.in: Added depends + target to makefiles + +2004-07-29 14:43 hkmoffa + + * test_problems/diamondSurf/: .cvsignore, Makefile.in: Added a + depends target + +2004-07-28 16:44 hkmoffa + + * config/configure.in: Added support for ck2cti_test + +2004-07-28 16:40 hkmoffa + + * test_problems/ck2cti_test/: .cvsignore, Makefile.in, gri30.inp, + gri30_tran.dat, gri30a_blessed.cti, runtest.in: Adding another + test to cover ck parser + +2004-07-28 16:36 hkmoffa + + * test_problems/surfkin/: .cvsignore, Makefile.in: Added a depends + capability + +2004-07-26 16:12 dggoodwin + + * Cantera/python/src/methods.h: removed unused bndry functions + +2004-07-26 08:58 hkmoffa + + * Cantera/src/: NasaThermo.h, ShomateThermo.h: Removed the at() + function for vectors. gcc v2.95 does not support this function. + +2004-07-21 13:41 hkmoffa + + * Cantera/src/: ThermoFactory.h, misc.cpp: Took the deletion of a + static pointer out of destructor. + +2004-07-16 17:18 hkmoffa + + * Cantera/src/: ConstDensityThermo.h, NasaPoly1.h, NasaThermo.h, + PolyThermoMgr.h, ShomatePoly.h, ShomateThermo.h, SimpleThermo.h, + SpeciesThermo.h, SpeciesThermoMgr.h, StoichSubstance.cpp, + StoichSubstance.h, ThermoPhase.h: Added "getParameter" routines + to most of the species and phase + thermo objects. + + Fixed a bug in NasaThermo::update_one() and + ShomateThermo::update_one() + that occurred because m_low_map and m_high_map contained bad + information. They were maps to fixed pointers, but the location + of the + objects that they referred to changed during vector resizing + operations. + +2004-07-12 07:58 hkmoffa + + * Cantera/clib/src/: ct.cpp, ctonedim.cpp: static_cast to eliminate + warnings from msvc. + +2004-07-12 07:57 hkmoffa + + * Cantera/clib/src/Storage.cpp: Static casts to eliminates warnings + from msvc + +2004-07-12 07:57 hkmoffa + + * Cantera/clib/src/Cabinet.h: Static_casts to eliminate warnings + from msvc. + +2004-07-08 13:32 hkmoffa + + * Cantera/src/StoichSubstance.cpp: Fixed an error that was making + the diamond test problem fail. + +2004-07-08 13:32 hkmoffa + + * test_problems/diamondSurf/diamond_blessed.xml: Updated file so + test would pass + +2004-07-08 13:14 hkmoffa + + * test_problems/silane_equil/output_blessed.txt: Updated blessed + file. + +2004-07-08 11:14 hkmoffa + + * Cantera/src/: InterfaceKinetics.cpp, InterfaceKinetics.h: Added + more comments. -> only formatting. + +2004-07-08 11:12 hkmoffa + + * Cantera/src/Group.cpp: only formatting. + +2004-07-08 11:11 hkmoffa + + * Cantera/src/units.h: Fixed an error that I recently introduced in + using size_types. + +2004-07-08 11:10 hkmoffa + + * Cantera/src/ctml.cpp: Fixed errors that I recently introduced in + using size_types. + +2004-07-08 11:09 hkmoffa + + * Cantera/src/misc.cpp: Fixed an error that I recently introduced + in using size_types + +2004-07-08 11:07 hkmoffa + + * Cantera/src/stringUtils.cpp: Fixed an error that I recently + introduced in using size_types. + +2004-07-08 11:03 hkmoffa + + * Cantera/src/GasKinetics.h: Added more initializations + +2004-07-08 09:08 hkmoffa + + * Cantera/src/misc.cpp: Fixed an error that I introduced. Must + always check string::size_type against string::npos. + +2004-07-02 10:34 hkmoffa + + * Cantera/src/converters/CKParser.cpp: Eliminated warnings due to + signed and unsigned comparisons. + +2004-07-02 10:28 hkmoffa + + * Cantera/src/converters/CKReader.cpp: static_cast to eliminate + VC++ warnings. + +2004-07-02 10:27 hkmoffa + + * Cantera/src/converters/CKParser.cpp: static_casts to eliminate + VC++ warnings. + +2004-07-02 10:25 hkmoffa + + * Cantera/src/converters/ck2ct.cpp: fixed file names for include + files. static_cast to eliminate VC++ warnigns. + +2004-07-02 10:24 hkmoffa + + * Cantera/src/converters/ckr_utils.cpp: static_cast to eliminate + VC++ warnings. + +2004-07-02 10:23 hkmoffa + + * Cantera/src/converters/ckr_defs.h: Corrected file locations for + include files. + +2004-07-02 10:21 hkmoffa + + * Cantera/src/converters/: writelog.cpp, filter.cpp, Reaction.cpp: + static_cast to eliminate VC++ warnings. + +2004-07-02 10:20 hkmoffa + + * Cantera/src/converters/ck2ctml.cpp: Corrected file locations of + include files. static_cast to eliminate VC++ warnings. + +2004-07-02 10:19 hkmoffa + + * Cantera/src/converters/ck2ctml.h: Corrected file locations of + include files. + +2004-07-02 09:48 hkmoffa + + * Cantera/src/converters/: CKParser.cpp, CKParser.h: Moved + CK_SyntaxError definition to the .h file. It's used in more than + one .cpp file. + +2004-07-02 09:47 hkmoffa + + * Cantera/src/converters/filter.cpp: split long lines. + +2004-07-02 09:14 hkmoffa + + * Cantera/src/zeroD/FlowDevice.cpp: Corrected file location of + include file. + +2004-07-02 09:13 hkmoffa + + * Cantera/src/zeroD/ReactorBase.cpp: static_cast to eliminate VC++ + warnings. + +2004-07-02 09:12 hkmoffa + + * Cantera/src/zeroD/Wall.cpp: Correct file location of include + file. + +2004-07-02 09:05 hkmoffa + + * Cantera/src/transport/TransportFactory.cpp: Corrected file + locations of include files. static_cast to eliminate VC++ + warnings. + +2004-07-02 09:04 hkmoffa + + * Cantera/src/transport/MultiTransport.cpp: static_cast to + eliminate VC++ warnings. + +2004-07-02 09:02 hkmoffa + + * Cantera/src/transport/MMCollisionInt.cpp: commented out a + variable that wasn't used. + +2004-07-02 09:01 hkmoffa + + * Cantera/src/transport/: L_matrix.h, MixTransport.cpp: Corrected + the file location of include files. + +2004-07-02 08:59 hkmoffa + + * Cantera/src/transport/: TransportParams.h, SolidTransport.cpp: + Corrected the file locations of include files. + +2004-07-02 08:29 hkmoffa + + * Cantera/src/oneD/MultiNewton.cpp: static_cast to eliminate VC++ + warnings. + +2004-07-02 08:27 hkmoffa + + * Cantera/src/oneD/OneDim.cpp: Static_cast to eliminate VC++ + warnings. + +2004-07-02 08:26 hkmoffa + + * Cantera/src/oneD/: Sim1D.cpp, StFlow.cpp: static_cast to + eliminate VC++ warnings. + +2004-07-02 08:23 hkmoffa + + * Cantera/src/oneD/refine.cpp: Static_cast to eliminate VC++ + warnings. + +2004-07-02 08:21 hkmoffa + + * Cantera/src/oneD/refine.h: static_cast to eliminate warning in + VC++ + +2004-07-02 08:20 hkmoffa + + * Cantera/src/oneD/Solid1D.cpp: Fixed one Error in file not part of + the distribution + +2004-07-02 08:19 hkmoffa + + * Cantera/src/oneD/Solid1D.h: Fixed one error in a file not yet + part of distribution. + +2004-07-02 07:58 hkmoffa + + * Cantera/src/DASPK.cpp: Fixed an error in a calling routine. + + Fixed an error involving passing a pointer through an integer + array, when the length of the pointer is longer than the length + of a single integer. Basically, you have to cast first to the + longer variable, before assigning. + +2004-07-02 07:48 hkmoffa + + * Cantera/src/SpeciesThermoFactory.cpp: static_cast to eliminate + VC++ warnings. + +2004-07-02 07:47 hkmoffa + + * Cantera/src/misc.cpp: static_cast and size_type to eliminate VC++ + warnings. + +2004-07-02 07:46 hkmoffa + + * Cantera/src/importCTML.cpp: static_cast to eliminate VC++ warning + messages. + +2004-07-02 07:45 hkmoffa + + * Cantera/src/ImplicitSurfChem.cpp: static_cast to eliminate VC++ + warning message. + +2004-07-02 07:44 hkmoffa + + * Cantera/src/ImplicitChem.h: Changed the name of a routine, to get + it to compile. However, I don't think this is part of the + distribution. + +2004-07-02 07:43 hkmoffa + + * Cantera/src/surfKinetics.h: changed the name of an include file. + however, I think this is no longer part of the distribution. + +2004-07-02 07:42 hkmoffa + + * Cantera/src/ReactionPath.cpp: static_cast to eliminate warning + messages. + +2004-07-02 07:41 hkmoffa + + * Cantera/src/ctml.cpp: static cast and size_type to eliminate VC++ + warning messages. + +2004-07-02 07:39 hkmoffa + + * Cantera/src/: stringUtils.cpp, ReactionPath.h: static_cast to + eliminate VC++ warning messages. + +2004-07-01 16:58 hkmoffa + + * Cantera/src/GasKinetics.cpp: static_cast to eliminate VC++ + warnings. + +2004-07-01 16:54 hkmoffa + + * Cantera/src/: ArrayViewer.h, Kinetics.h: static_cast to eliminate + VC++ warnings. + +2004-07-01 16:50 hkmoffa + + * Cantera/src/StoichManager.h: static_cast to eliminate VC++ + warnings. + +2004-07-01 16:47 hkmoffa + + * Cantera/src/: NasaThermo.h, ShomateThermo.h, RateCoeffMgr.h, + ThirdBodyMgr.h: static_cast to eliminate VC++ warnings. + +2004-07-01 16:46 hkmoffa + + * Cantera/src/plots.cpp: static_casts to eliminate VC++ warnings. + +2004-07-01 16:46 hkmoffa + + * Cantera/src/units.h: small changes to eliminate VC++ warnings. + +2004-07-01 16:40 hkmoffa + + * Cantera/src/DenseMatrix.cpp: static_cast to eliminate VC++ + warnings + +2004-07-01 16:35 hkmoffa + + * Cantera/src/: Group.cpp, Group.h: Fixed an error that turned up + in VC++. I think the problem was that VC++ didn't allow friend + functions to be defined in the body of declarations in .h files. + +2004-07-01 16:26 hkmoffa + + * Cantera/src/Elements.cpp: static cast added to avoid VC++ + compiler warning. + +2004-07-01 16:25 hkmoffa + + * Cantera/src/Array.h: static_cast added to avoid VC++ compiler + issues. + +2004-07-01 16:22 hkmoffa + + * Cantera/src/xml.cpp: VC++ warnings were taken out + +2004-07-01 16:12 hkmoffa + + * Cantera/src/xml.h: Added static_cast to remove VC++ compiler + warning. + +2004-06-30 15:30 hkmoffa + + * Cantera/src/ImplicitChem.cpp: Fixed an error with a calling + statement. + +2004-06-30 14:08 hkmoffa + + * Cantera/src/ResidEval.h: Fixed a compiler error that showed up + VC++ + +2004-06-28 16:51 hkmoffa + + * Cantera/src/Phase.h: Set m_xml to zero after deletion. + +2004-06-28 16:49 hkmoffa + + * Cantera/src/importCTML.h: Added the installSpecies() declaration + back in. This is needed for the particle species thermo object. + It's in the cpp file, but just not declared here. + +2004-06-28 16:47 hkmoffa + + * Cantera/src/SpeciesThermoFactory.cpp: Added a few throw + statements that was missing. Added a throw UnknownSpeciesThermo + statement for cases where the complete thermo block is missing. + This is necessary for particle species object to function. + +2004-06-17 10:49 dggoodwin + + * Cantera/src/PureFluidPhase.cpp: initial import + +2004-06-16 14:55 dggoodwin + + * Cantera/src/GasKinetics.cpp: changed call to + ReactionStoichMgr::add so that non-integral reaction orders are + correctly processed. + +2004-06-08 17:59 dggoodwin + + * Cantera/src/: ConstDensityThermo.cpp, ConstDensityThermo.h, + Constituents.cpp, Constituents.h, EdgePhase.h, Elements.h, + Makefile.in, PureFluidPhase.h, SpeciesThermoFactory.cpp, + SpeciesThermoFactory.h, StoichSubstance.cpp, StoichSubstance.h, + SurfPhase.cpp, SurfPhase.h, ThermoFactory.cpp, ThermoPhase.cpp, + ThermoPhase.h, importCTML.cpp, importCTML.h, xml.cpp, xml.h, + zeroD/Wall.h: moved functions to read XML input files out of + importCTML.cpp and into specific classes + +2004-06-06 15:02 dggoodwin + + * Cantera/src/Elements.cpp: moved reading of xml element data to + Elements.cpp + +2004-06-03 22:19 dggoodwin + + * Makefile.in, configure, Cantera/matlab/setup_winmatlab.py, + Cantera/python/Cantera/DustyGasTransport.py, + Cantera/python/Cantera/Func.py, + Cantera/python/Cantera/Interface.py, + Cantera/python/Cantera/Phase.py, + Cantera/python/Cantera/Reactor.py, + Cantera/python/Cantera/ThermoPhase.py, + Cantera/python/Cantera/Transport.py, + Cantera/python/Cantera/importFromFile.py, + Cantera/python/src/ctreactor_methods.cpp, + Cantera/src/ct2ctml.cpp, config/configure, config/configure.in, + test_problems/cxx_ex/gri30.xml, test_problems/cxx_ex/silane.xml: + added comments + +2004-06-02 21:01 dggoodwin + + * Cantera/python/Cantera/importFromFile.py: added comments + +2004-06-02 20:44 dggoodwin + + * Cantera/python/Cantera/Interface.py: added comments + +2004-06-02 05:57 dggoodwin + + * Cantera/python/: Cantera/Func.py, Cantera/Phase.py, + Cantera/ThermoPhase.py, examples/reactor1.py, + examples/reactor2.py: minor cleanup + +2004-06-01 21:39 dggoodwin + + * Cantera/python/: Makefile.in, ctml_writer.py, setup.py.in: moved + ctml_writer.py out of Cantera package + +2004-05-29 21:04 dggoodwin + + * Cantera/src/oneD/: Sim1D.cpp, refine.cpp: fixed problem with + continuing beyond max number of points + +2004-05-29 21:02 dggoodwin + + * Cantera/python/Cantera/ctml_writer.py: converted to pure python + +2004-05-23 17:08 dggoodwin + + * Cantera/matlab/cantera/: @Reactor/private/reactormethods.cpp, + @Transport/private/newTransport.cpp, + @Transport/private/trans_methods.cpp, + @Wall/private/wallmethods.cpp, @XML_Node/private/newxml.cpp, + @XML_Node/private/xmlmethods.cpp: removed unused files + +2004-05-23 17:05 dggoodwin + + * Cantera/matlab/cantera/@Kinetics/private/: delkinetics.cpp, + isrev.cpp, kin_get.cpp, kin_set.cpp, newkinetics.cpp, + production.cpp, pstoich.cpp, rop.cpp, rstoich.cpp, rxnstring.cpp: + removed unused files + +2004-05-21 20:52 dggoodwin + + * Cantera/python/tutorial/: tut2.py, tut3.py, tut4.py: updated + tutorials + +2004-05-21 11:09 dggoodwin + + * Cantera/src/transport/MMCollisionInt.cpp: fixed bug in which + upper T* limit was incorrect in fits if T*max > 100, as with + helium. + +2004-05-17 16:22 dggoodwin + + * config/configure.in: added test for sstream + +2004-05-17 15:59 dggoodwin + + * Cantera/matlab/cantera/@ReactorNet/: addReactor.m, atol.m, + rtol.m, setInitialTime.m, setMaxTimeStep.m, setTolerances.m, + time.m: initial import + +2004-05-17 09:23 dggoodwin + + * test_problems/cxx_ex/: kin1_blessed.csv, kin2_blessed.csv: + reverted to previus version due to error in last versions + +2004-05-16 06:54 dggoodwin + + * Cantera/src/: CVode.cpp, CVode.h, Integrator.h: changed + setMaxStep to setMaxStepSize, setMinStep to setMinStepSize, and + added setMaxSteps to set the maximum number of steps that will be + taken. + +2004-05-14 20:19 dggoodwin + + * Cantera/python/examples/critProperties.py: added example of + computing critical-state properties + +2004-05-14 14:15 dggoodwin + + * Cantera/src/transport/: MultiTransport.h, MultiTransport.cpp: + added ability to compute mixture-averaged diffusion coefficients + in class MultiTransport. + +2004-05-13 10:52 dggoodwin + + * ChangeLog: log file generated from CVS log output by perl script + cvs2cl.pl + +2004-05-13 10:45 dggoodwin + + * Cantera/src/converters/CKParser.cpp: fixed bug in which a species + name beginning with M was interpreted as a third body + +2004-04-24 08:44 dggoodwin + + * configure, Cantera/matlab/setup_winmatlab.py, + Cantera/python/Cantera/Func.py, + Cantera/python/Cantera/Reactor.py, + Cantera/python/examples/catcomb.py, + Cantera/python/examples/diamond.py, + Cantera/python/examples/dustygas.py, + Cantera/python/examples/flame1.py, + Cantera/python/examples/isentropic.py, + Cantera/python/examples/mix1.py, Cantera/python/examples/mix2.py, + Cantera/python/examples/reactor1.py, + Cantera/python/examples/reactor2.py, data/inputs/diamond.cti: + updated examples + +2004-04-24 05:55 dggoodwin + + * Cantera/matlab/cantera/: @ReactorNet/ReactorNet.m, + @ReactorNet/advance.m, @ReactorNet/reactornet_hndl.m, + @ReactorNet/step.m, @ReactorNet/private/reactornetmethods.m, + private/reactornetmethods.cpp: initial import + +2004-04-24 05:50 dggoodwin + + * test_problems/: cxx_ex/kin1_blessed.csv, cxx_ex/kin2_blessed.csv, + silane_equil/output_blessed.txt: updated blessed files due to + slight change in how Nasa polynomial thermo properties computed + +2004-04-23 14:02 hkmoffa + + * Cantera/src/surfKinetics.cpp: Call to the baseclass init() + function from init() + +2004-04-23 13:37 hkmoffa + + * Cantera/src/GasKinetics.cpp: Cosmetic -> changed args to fall + after ( + +2004-04-23 13:36 hkmoffa + + * Cantera/src/PureFluidPhase.h: Added a header. + +2004-04-23 12:55 hkmoffa + + * Cantera/src/: importCTML.cpp, importCTML.h: Made + checkRxnElementBalance global scoped, so that it could be used in + cads package. + +2004-04-23 12:05 hkmoffa + + * Cantera/src/importCTML.cpp: Strictly formatting- broke up long + lines added a few comments. + +2004-04-23 12:03 hkmoffa + + * Cantera/src/importCTML.h: Added prototypes for 2 functions. + +2004-04-23 10:35 hkmoffa + + * Cantera/fortran/src/Makefile.in: Changed libfct.a.a to libfct.a + +2004-04-23 10:17 hkmoffa + + * Cantera/fortran/f77demos/.cvsignore: Added 2 generated files. + +2004-04-23 10:13 hkmoffa + + * Cantera/fortran/src/fct.cpp: Changed a getMassFractions() call + from 2 args to 1 arg. The old method had been taken out of + State.h. And, this file had not been subsequently updated. + +2004-04-23 09:42 hkmoffa + + * Cantera/matlab/.cvsignore: Added setup_matlab.py, this is a + generated file. + +2004-04-23 09:41 hkmoffa + + * Cantera/src/.cvsignore: Added config.h + +2004-04-23 09:34 dggoodwin + + * Cantera/src/importCTML.cpp: added function + checkRxnElementBalance, and modified importReaction to call it + before adding a reaction to check that it is balanced. + +2004-04-22 15:59 hkmoffa + + * config/: configure, configure.in: Added python_prefix capability. + Can now install site-packages into a different directory than the + Cantera install directory. Added a particles section that + shouldn't be turned on. + +2004-04-22 15:54 hkmoffa + + * .cvsignore: Added a file. + +2004-04-22 15:43 hkmoffa + + * Makefile.in: Making sure that build_particles=0 turns off going + to cads directory + +2004-04-22 15:42 hkmoffa + + * configure: Added a python_prefix capability that allows one to + put python site packages in a different spot than cantera + installation files. + +2004-04-22 14:50 hkmoffa + + * tools/src/.cvsignore: Added 2 files. + +2004-04-22 14:33 hkmoffa + + * Cantera/python/Makefile.in: Part of separating python prefix from + prefix. + +2004-04-22 14:28 hkmoffa + + * Makefile.in: Added installs for a few more files from demo + directory. -> including Makefile.install -> Makefile + +2004-04-22 14:14 hkmoffa + + * Cantera/cxx/: Makefile.in, demos/Makefile.in, + demos/Makefile.install: Ok, think I fixed it. Added a demo + results and added Makefile back into repository so that demo + problems run correctly in both directories (and give the same + result). + +2004-04-22 12:49 hkmoffa + + * Cantera/cxx/demos/Makefile.in: Fixed an error in the clean rule. + +2004-04-22 12:46 hkmoffa + + * config/configure.in: Fixed a typo. + +2004-04-22 12:44 hkmoffa + + * config/: configure, configure.in: Added 2 directories to the list + of Makefiles to be created. + +2004-04-22 12:42 hkmoffa + + * Cantera/cxx/: Makefile.in, demos/.cvsignore, demos/Makefile, + demos/Makefile.in, demos/kin1_blessed.csv, + demos/kin1_blessed.dat, src/.cvsignore, src/Makefile.in, + src/cxxutils.cpp, src/writelog.cpp: Added a small demo. Added + comments. + +2004-04-22 12:06 hkmoffa + + * Cantera/matlab/cantera/.cvsignore: Added ctbin.m + +2004-03-18 05:26 dggoodwin + + * Cantera/matlab/cantera/@ThermoPhase/: setState_Psat.m, + setState_Tsat.m: initial import + +2004-03-12 19:25 dggoodwin + + * Cantera/src/Phase.cpp: bug fixedin setMassFractionsByName + +2004-02-22 21:47 dggoodwin + + * Cantera/matlab/cantera/@Func/: char.m, display.m, plus.m, + rdivide.m, subsref.m, times.m, private/funcmethods.m: initial + import + +2004-02-02 19:33 dggoodwin + + * Cantera/src/: EdgePhase.h, EdgeKinetics.cpp, EdgeKinetics.h: + initial import + +2004-01-30 15:14 hkmoffa + + * Cantera/clib/src/Makefile.in: Added an all: rule. The end effect + is that the library isn't archived when there isn't any need to. + +2004-01-30 10:27 hkmoffa + + * configure: Small change to all presetting end libs. + +2004-01-14 08:30 hkmoffa + + * test_problems/cxx_ex/: gri30.xml, kin1_blessed.csv, + kin2_blessed.csv: Changed the blessed files. There was a small + change in the actual answer. + +2004-01-14 08:03 hkmoffa + + * test_problems/surfkin/surface.xml: Changed the xml file to have + the same element ordering as the gri file's elements. + +2004-01-14 08:00 hkmoffa + + * test_problems/diamondSurf/: diamond.cti, diamond_blessed.xml, + tdia_a.py: changed the cti file so that the elements of all + phases were ordered the same. + +2004-01-11 04:57 dggoodwin + + * Cantera/cxx/demos/: Makefile, kinetics1.cpp: initial import + +2004-01-05 09:01 dggoodwin + + * Cantera/cxx/demos/: example_utils.h, kinetics1.cpp: initial + import + +2004-01-04 06:40 dggoodwin + + * Cantera/src/: config.h, ct2ctml.cpp: changed check.py to + .check.py + +2004-01-01 17:02 dggoodwin + + * test_problems/: cxx_ex/Makefile.in, cxx_ex/runtest, + diamondSurf/runtest, silane_equil/runtest, surfkin/runtest: added + definition of CANTERA_DATA + +2004-01-01 15:41 dggoodwin + + * Cantera/cxx/src/Makefile.in: initial import + +2004-01-01 15:39 dggoodwin + + * Makefile.in, config/configure, config/configure.in: cleanup + +2004-01-01 15:26 dggoodwin + + * include/: Cantera.h, GRI30.h, IdealGasMix.h, Interface.h, README, + ctml.h, equilibrium.h, integrators.h, kinetics.h, numerics.h, + onedim.h, reactionpaths.h, surface.h, transport.h, zerodim.h: + files moved to Cantera/cxx/include + +2004-01-01 15:13 dggoodwin + + * Cantera/cxx/: cxxutils.cpp, writelog.cpp, src/cxxutils.cpp, + src/writelog.cpp: innitial import + +2004-01-01 15:11 dggoodwin + + * Cantera/: README.txt, cxx/include/Cantera.h, cxx/include/GRI30.h, + cxx/include/IdealGasMix.h, cxx/include/Interface.h, + cxx/include/equilibrium.h, cxx/include/integrators.h, + cxx/include/kinetics.h, cxx/include/numerics.h, + cxx/include/onedim.h, cxx/include/reactionpaths.h, + cxx/include/surface.h, cxx/include/transport.h, + cxx/include/zerodim.h, src/Makefile.in, src/ct2ctml.cpp: initial + import + +2004-01-01 11:56 dggoodwin + + * configure, Cantera/src/MMCollisionInt.cpp, + Cantera/src/Makefile.in, Cantera/src/MixTransport.cpp, + Cantera/src/Newton.h, Cantera/src/PropertyUpdater.h, + Cantera/src/misc.cpp, include/Cantera.h, include/README, + include/config.h, include/ftn_defs.h: cleanup + +2003-12-31 00:38 dggoodwin + + * Makefile.in: - + +2003-12-31 00:31 dggoodwin + + * Makefile.in: - + +2003-12-31 00:27 dggoodwin + + * tools/Makefile.in: added build_ck + +2003-12-31 00:14 dggoodwin + + * Cantera/src/ct2ctml.cpp: removed #include pypath.h + +2003-12-31 00:04 dggoodwin + + * Makefile.in: - + +2003-12-22 06:41 dggoodwin + + * config/: configure, configure.in, testpch.h: initial import + +2003-12-22 06:30 dggoodwin + + * Makefile.in, config.h, Cantera/clib/src/ct.h, + Cantera/clib/src/ctonedim.cpp, Cantera/matlab/setup_matlab.py, + Cantera/matlab/cantera/buildwin.m, + Cantera/matlab/cantera/private/transportmethods.cpp, + Cantera/src/BandMatrix.cpp, Cantera/src/DenseMatrix.cpp, + Cantera/src/config.h, Cantera/src/oneD/boundaries1D.cpp, + config/configure, config/configure.in: updated Windows build + procedure + +2003-12-20 10:03 hkmoffa + + * Cantera/src/transport/MixTransport.cpp: Fix to getDiffusion in + order to avoid a NAN result for m_nsp = 1 case and for mixtures + with X_i=1.0. + +2003-12-20 09:53 hkmoffa + + * tools/testtools/csvdiff.cpp: Fixed 2 things: stripped column + names checked for zero title lines + +2003-12-20 04:12 dggoodwin + + * Cantera/src/ChemEquil.cpp, examples/cxx/equil_example1.cpp, + test_problems/cxx_ex/eq1_blessed.csv, + test_problems/cxx_ex/eq1_blessed.dat: changed problem parameters + to keep T in range + +2003-12-20 04:06 dggoodwin + + * test_problems/cxx_ex/eq1_blessed.csv, + test_problems/cxx_ex/eq1_blessed.dat, + test_problems/silane_equil/output_blessed.txt, + test_problems/silane_equil/silane_equil.cpp, + examples/cxx/equil_example1.cpp: changed problem parameters to + keep T in range + +2003-12-20 03:43 dggoodwin + + * tools/templates/cxx/demo.cpp: changed example parameters + +2003-12-20 03:39 dggoodwin + + * tools/templates/cxx/demo.cpp: changed example parameters + +2003-12-20 03:35 dggoodwin + + * Makefile.in, Cantera/src/ChemEquil.cpp: minor cleanup + +2003-12-19 21:09 dggoodwin + + * config.h, Cantera/matlab/setup_matlab.py, Cantera/src/config.h, + tools/Makefile.in, tools/src/finish_install.py.in, + tools/templates/cxx/demo.cpp: - + +2003-12-19 21:08 dggoodwin + + * Cantera/src/ChemEquil.cpp: fixed temperature limits + +2003-12-15 00:54 dggoodwin + + * config.h, Cantera/matlab/setup_matlab.py, + Cantera/src/Makefile.in, Cantera/src/config.h, + tools/bin/finish_install.py: - + +2003-12-13 14:58 dggoodwin + + * Cantera/src/misc.cpp: - + +2003-12-13 06:35 dggoodwin + + * INSTALLING, Makefile.in, Cantera/clib/src/ct.cpp, + Cantera/matlab/setup_matlab.py, + Cantera/matlab/setup_matlab.py.in, + Cantera/matlab/cantera/@Solution/set.m, + Cantera/python/setup.py.in, Cantera/src/BandMatrix.cpp, + Cantera/src/Makefile.in, Cantera/src/SurfPhase.h, + Cantera/src/importCTML.cpp, Cantera/src/importCTML.h, + Cantera/src/utilities.h, config/configure, config/configure.in, + data/inputs/Makefile.in, data/inputs/gri30.xml, + ext/tpx/Hydrogen.cpp, ext/tpx/Oxygen.cpp, + tools/bin/finish_install.py: cleanup + +2003-12-13 06:08 dggoodwin + + * test_problems/cxx_ex/: gri30.xml, kin1_blessed.csv, + kin2_blessed.csv, tr2_blessed.csv: rebaselined + +2003-12-12 09:03 dggoodwin + + * Cantera/matlab/setup_matlab.py.in: - + +2003-12-12 08:51 dggoodwin + + * Cantera/matlab/cantera/private/: reactormethods.cpp, + flowdevicemethods.cpp, wallmethods.cpp: - + +2003-12-12 08:46 dggoodwin + + * config/configure, config/configure.in, + Cantera/matlab/setup_matlab.py.in: - + +2003-12-12 08:44 dggoodwin + + * Cantera/matlab/setup_matlab.py.in: initial import + +2003-12-12 08:28 dggoodwin + + * config/: configure, configure.in: - + +2003-12-12 08:18 dggoodwin + + * Cantera/: matlab/Makefile.in, python/setup.py.in, + python/Makefile.in: removed libconverters dependency + +2003-12-12 08:15 dggoodwin + + * Cantera/clib/src/Makefile.in: removed libconverters dependency + +2003-12-12 08:11 dggoodwin + + * INSTALLING, License.txt, config.h, config.h.in, configure, + Cantera/src/Makefile.in, Cantera/src/config.h, + Cantera/src/misc.cpp, config/configure, config/configure.in, + tools/src/Makefile.in: isolated Chemkin file support to building + ck2cti + +2003-12-11 05:01 dggoodwin + + * Cantera/python/: Cantera/rxnpath.py, src/ctrpath_methods.cpp, + src/methods.h: set font in reaction path diagrams + +2003-12-11 04:15 dggoodwin + + * tools/src/package4mac.in: initial import + +2003-12-11 04:06 dggoodwin + + * Cantera/src/transport/: DustyGasTransport.cpp, + DustyGasTransport.h, MixTransport.cpp, MultiTransport.cpp, + SolidTransport.cpp, TransportBase.h, TransportFactory.cpp: minor + cleanup + +2003-12-05 09:13 dggoodwin + + * Cantera/src/: PureFluidPhase.h, ThermoPhase.cpp, ThermoPhase.h, + transport/DustyGasTransport.cpp, transport/DustyGasTransport.h: - + +2003-11-24 08:39 dggoodwin + + * configure, Cantera/clib/src/ct.cpp, Cantera/clib/src/ct.h, + Cantera/python/setup.py.in, + Cantera/python/Cantera/ThermoPhase.py, + Cantera/python/Cantera/ctml_writer.py, + Cantera/python/src/ctthermo_methods.cpp, Cantera/src/State.h, + Cantera/src/ThermoFactory.cpp, Cantera/src/ThermoPhase.h, + Cantera/src/ctml.cpp, Cantera/src/ctml.h, + Cantera/src/importCTML.cpp, Cantera/src/mix_defs.h, + Cantera/src/xml.cpp, Cantera/src/oneD/StFlow.cpp, + Cantera/src/transport/DustyGasTransport.cpp, ext/tpx/utils.cpp: - + +2003-11-19 02:50 dggoodwin + + * Makefile.in, config/configure, config/configure.in, + tools/templates/cxx/demo.cpp, tools/templates/cxx/demo.mak.in, + tools/templates/f77/demo.f, tools/templates/f77/demo.mak.in, + tools/templates/f77/demo_ftnlib.cpp: - + +2003-11-19 01:37 dggoodwin + + * Makefile.in, config.h, Cantera/src/config.h, config/configure, + config/configure.in, tools/Makefile.in, + tools/bin/finish_install.py, tools/man/mixmaster.1, + tools/src/finish_install.py.in, tools/templates/f77/demo.mak.in: + - + +2003-11-17 07:19 dggoodwin + + * config/configure, config/configure.in, config.h, + Cantera/src/config.h, tools/Makefile.in, + tools/bin/finish_install.py, tools/doc/Cantera.cfg: - + +2003-11-17 06:10 dggoodwin + + * Makefile.in, README.txt, config.h.in, configure: - + +2003-11-17 05:52 dggoodwin + + * tools/: src/ck2cti.cpp, src/finish_install.py.in, + man/mixmaster.1: initial import + +2003-11-17 05:51 dggoodwin + + * Cantera/: matlab/Makefile.in, python/Cantera/Transport.py, + python/examples/flame2.py, src/oneD/StFlow.cpp, + src/oneD/StFlow.h: cleanup + +2003-11-16 09:14 dggoodwin + + * tools/man/ck2cti.1: initial import + +2003-11-13 03:54 dggoodwin + + * Cantera/src/oneD/MultiJac.cpp: removed NaN test + +2003-11-12 10:56 dggoodwin + + * Cantera/src/oneD/StFlow.cpp: multicomponent transport working + +2003-11-01 02:11 dggoodwin + + * Cantera/user/: Makefile.in, user.cpp: initial import + +2003-10-31 20:48 dggoodwin + + * Cantera/python/Cantera/ctml_writer.py: added capability to have + species names with embedded commas + +2003-10-24 03:11 dggoodwin + + * tools/doc/html/banner4.jpg: initial import + +2003-10-21 17:33 dggoodwin + + * Cantera/src/: State.h, State.cpp: minor cleanup + +2003-10-15 09:21 hkmoffa + + * Cantera/src/misc.cpp: Added a call to delete the static instance + of a Falloff factory + +2003-10-15 09:20 hkmoffa + + * Cantera/src/transport/: TransportFactory.cpp, TransportFactory.h: + Fixed a bug in the destructor, wherein an infinite loop condition + may occur. + +2003-10-14 05:58 dggoodwin + + * Cantera/python/Cantera/DustyGasTransport.py: initial import + +2003-09-25 13:37 dggoodwin + + * Cantera/src/transport/: DustyGasTransport.cpp, + DustyGasTransport.h, Makefile.in, TransportBase.h, + TransportFactory.cpp: added DustyGasTransport + +2003-09-16 08:58 hkmoffa + + * Cantera/src/ctml.cpp: Fixed a rather hideous error in getMap(), + that was causing element compositions to be read incorrectly when + the species is made up of a large numbers of a single element. + +2003-09-08 06:33 dggoodwin + + * Cantera/fortran/f77demos/: README.txt, ctlib.f, f77demos.mak.in, + isentropic.f: initial import + +2003-09-05 23:04 dggoodwin + + * tools/templates/f77/: README_WIN32.txt, f77demo.dsp: initial + import + +2003-09-05 09:57 hkmoffa + + * test_problems/diamondSurf/runDiamond.cpp: loosened the tolerances + on nil printing + +2003-09-05 09:42 hkmoffa + + * Cantera/src/transport/: MixTransport.cpp, MixTransport.h, + MultiTransport.cpp: Fixed several UMR's discovered while using + valgrind. + +2003-09-05 09:20 hkmoffa + + * test_problems/diamondSurf/: Makefile.in, runDiamond.cpp, + runDiamond_blessed.out: Fixed the Makefile.in, undated runDiamond + to print out more nulls, and changed the solution back. I had an + error in my Cantera version that created an undocumented changed + in the result. + +2003-09-05 07:45 hkmoffa + + * data/transport/misc_tran.dat: Added a III-V database + +2003-09-04 16:42 dggoodwin + + * Cantera/python/Cantera/OneD/: __init__.py, flame.py, onedim.py: + initial import + +2003-09-03 13:00 hkmoffa + + * test_problems/diamondSurf/: runDiamond.cpp, + runDiamond_blessed.out: Rebaselined due to change in units + +2003-09-03 12:59 hkmoffa + + * Cantera/src/: FalloffFactory.h, FalloffMgr.h: Fixed an error that + I had introduced. + +2003-09-03 12:59 hkmoffa + + * test_problems/cxx_ex/: kin1_blessed.csv, kin2_blessed.csv: + rebaselined due to change in constants. + +2003-09-03 11:49 hkmoffa + + * Cantera/src/converters/Makefile.in: Might as well keep this in + till it breaks. + +2003-09-03 11:48 hkmoffa + + * Cantera/src/converters/: ck2ctml.cpp, ck2ctml.h: Added const to + the aguement lists. + +2003-09-03 11:45 hkmoffa + + * Cantera/src/: global.h, misc.cpp: Added a function called + appdelete(), which deletes all global data malloced by Cantera. + With this call added to applications, Cantera passes the leak + check from the valgrind application. (Well there is some + squirrely behavior associated with either valgrind, linux, or the + stl implementation, but it's not Cantera's fault). + + I also changed get_XML_File to store the absolute pathname in the + map, so that the same XML tree isn't deleted twice. Lookups are + always done wrt absolute pathnames. + +2003-09-03 11:39 hkmoffa + + * Cantera/src/: importCTML.cpp, importCTML.h: Added the function + get_XML_NameID, which does a search on the xml element name and + id attribute. + + Made importSpecies() a global function. I needed this in order to + read in enhancements to the XML data file for the PartSpecPhase + class. + +2003-09-03 11:33 hkmoffa + + * Cantera/src/: InterfaceKinetics.cpp, InterfaceKinetics.h: Added + comments and changed the order of functions to place like + functions in blocks. + +2003-09-03 11:31 hkmoffa + + * Cantera/src/ThermoPhase.h: Cleanup of comment sections. + +2003-09-03 11:31 hkmoffa + + * Cantera/src/State.cpp: cleanup + +2003-09-03 11:29 hkmoffa + + * Cantera/src/: SpeciesThermo.h, SpeciesThermoFactory.cpp, + SpeciesThermoFactory.h: Two main changes: The routines will now + throw a named error condition when it can't match the species + thermo or it can't find the species thermo. This is used in + PartSpecPhase.cpp to signal that the thermo functions should + be created on the fly from the bulk phase thermo and the bulk + species basis for the particle species. + + The second one is to eliminate a potential fatal error of + calling a delete for an object in the object's own destructor + function. + +2003-09-03 11:22 hkmoffa + + * Cantera/src/: xml.cpp, xml.h: Added the function findNameID, + which does a tree lookup on the name and the id. Took out + m_level, which seemed to have no purpose. + +2003-09-03 11:19 hkmoffa + + * Cantera/src/Phase.h: Added comments. + +2003-09-03 11:18 hkmoffa + + * Cantera/src/.cvsignore: Added a file. + +2003-09-03 11:17 hkmoffa + + * Cantera/src/units.h: fixed a potentially fatal error of doing a + delete in a destructor on the object containing the destructor. + +2003-09-03 11:15 hkmoffa + + * Cantera/src/: Constituents.cpp, Constituents.h: Added a vector + get for the atoms in a species. + +2003-09-03 08:35 hkmoffa + + * Cantera/src/: FalloffFactory.h, FalloffMgr.h: Fixed an error with + the destructors. valgrind showed that destructor wasn't being + called for single instance of FalloffFactory. + +2003-08-29 07:59 dggoodwin + + * Cantera/clib/src/genpy.py: initial import + +2003-08-25 12:50 dggoodwin + + * Cantera/matlab/cantera/examples/catcomb.m: initial import + +2003-08-25 11:29 hkmoffa + + * Cantera/src/SurfPhase.h: Added a dummy routine to set and store + the pressure. It doesn't have an effect on anything. However, it + doesn't cause a cantera error. + +2003-08-23 10:14 dggoodwin + + * data/inputs/nasa.cti: initial import + +2003-08-21 15:39 hkmoffa + + * Cantera/src/IncompressibleThermo.h: Changed fmax to fmaxx. + +2003-08-21 15:38 hkmoffa + + * Cantera/src/RateCoeffMgr.h: Added the writeUpdate() function. It + was needed to resolve externals. + +2003-08-21 15:37 hkmoffa + + * Cantera/src/MultiDomain.h: changed fmax to fmaxx + +2003-08-21 15:36 hkmoffa + + * Cantera/src/RxnRates.h: Changed fmax() to fmaxx() in one call. + +2003-08-21 15:35 hkmoffa + + * Cantera/src/importCTML.cpp: Added more comments. + +2003-08-21 15:34 hkmoffa + + * Cantera/src/ct2ctml.cpp: Commented out a spurious write operation + +2003-08-21 15:33 hkmoffa + + * Cantera/src/ctml.h: Added a name of an argument. + +2003-08-21 15:32 hkmoffa + + * Cantera/src/misc.cpp: Added a comment + +2003-08-21 15:32 hkmoffa + + * Cantera/src/: xml.cpp, xml.h: Changed findXMLPhase() to return a + non const XML tree. It broke the runDiamond program the other + way, because importPhase() uses a non const XML tree argument. + Also, the change commits a small alteration in the xml write + operation that allows for the top level of an xml file to contain + multiple elements. previously this was not possible. + +2003-08-21 15:28 hkmoffa + + * Cantera/src/zeroD/Reactor.cpp: Fixed a UMR in the file. + +2003-08-21 15:26 hkmoffa + + * examples/cxx/: equil_example1.cpp, kinetics_example1.cpp, + rxnpath_example1.cpp, transport_example1.cpp, + transport_example2.cpp: The find_xml interface has been + deprecated. Therefore, there were changes needed in these files. + +2003-08-21 15:25 hkmoffa + + * test_problems/: Makefile.in, silane_equil/output_blessed.txt, + silane_equil/silane_equil.cpp, surfkin/Interface.h, + surfkin/Makefile.in, surfkin/output_blessed.txt, + surfkin/surfdemo.cpp: Rebaselined the problem. The solution + changed in the 4th sig digit, because, I think, the physical + constants changed in ct_defs.h + +2003-08-21 15:23 hkmoffa + + * test_problems/diamondSurf/: runDiamond.cpp, + runDiamond_blessed.out: Rebaselined test, because the answer + changed in the 4th digit. I think it is due to the change in + physical constants in ct_defs.h + +2003-08-21 10:48 hkmoffa + + * Cantera/Makefile.in: changed fortran to fortran/src. Added + particle hooks which should all be turned off by default. + +2003-08-21 10:39 hkmoffa + + * Cantera/fortran/src/: .cvsignore, fct.cpp: find_XML is no longer + in the Cantera kernel API. this fixes the problem, replacing it + with calls to get_XML_Node(). + +2003-08-21 08:35 hkmoffa + + * test_problems/diamondSurf/: diamond.cti, diamond_blessed.xml, + runDiamond_blessed.out: Rebaselined after adding in a reaction + +2003-08-21 07:27 dggoodwin + + * Cantera/src/zeroD/Wall.cpp: add support for surface chem + +2003-08-21 07:26 dggoodwin + + * Cantera/src/zeroD/Wall.h: added support for surface chemistry on + each side of the wall + +2003-08-21 07:26 dggoodwin + + * Cantera/src/zeroD/Reactor.h: added surface chemistry + +2003-08-21 07:25 dggoodwin + + * Cantera/src/zeroD/Reactor.cpp: added support for surface + chemistry. + +2003-08-20 19:40 dggoodwin + + * Cantera/src/ct2ctml.cpp: fixed get_CTML_Tree + +2003-08-20 14:34 hkmoffa + + * Cantera/src/misc.cpp: Added header lines to the file + +2003-08-20 13:23 hkmoffa + + * Cantera/src/xml.h: Added a CVS version comment block + +2003-08-20 13:00 hkmoffa + + * config/configure.in: Added another test directory + +2003-08-20 12:36 hkmoffa + + * test_problems/diamondSurf/: .cvsignore, Makefile.in, diamond.cti, + diamond_blessed.xml, runDiamond.cpp, runDiamond_blessed.out, + run_diamond.py, runtest: Added a new test problem + +2003-08-20 08:30 dggoodwin + + * Cantera/src/oneD/StFlow.h: added some 'const's + +2003-08-20 08:28 dggoodwin + + * Cantera/src/global.h: added two new functions. + +2003-08-20 08:27 dggoodwin + + * Cantera/src/: ctml.h, oneD/Sim1D.cpp, oneD/StFlow.cpp: added some + 'const's + +2003-08-20 08:27 dggoodwin + + * Cantera/src/ct_defs.h: changed gas constant to 1999 CODATA value, + removed option to not use kmol. + +2003-08-20 08:26 dggoodwin + + * Cantera/src/ct2ctml.cpp: get_CTML_Tree is now deprecated. Use + get_XML_File in misc.cpp. + +2003-08-20 08:23 dggoodwin + + * Cantera/src/: SpeciesThermoFactory.cpp, ThermoPhase.h: added some + 'const's + +2003-08-20 08:19 dggoodwin + + * Cantera/src/misc.cpp: added option to clear all entries in + close_XML_File. + +2003-08-20 08:18 dggoodwin + + * Cantera/python/Cantera/Transport.py: stopped storing ThermoPhase + object, since this is self-referential in classes like Solution + that derive from Transport and ThermoPhase. + +2003-08-20 08:16 dggoodwin + + * Cantera/python/Cantera/Kinetics.py: stopped storing ThermoPhase + objects, since this is self-referential if a class derives from + both Kinetics and ThermoPhase, causing it to never be deleted. + +2003-08-20 08:15 dggoodwin + + * Cantera/python/Cantera/solution.py: changed call to XML_Node + constructor + +2003-08-20 08:13 dggoodwin + + * Cantera/python/Cantera/XML.py: removed self.root, which was + self-referencing. 'build' replaced by 'get_XML_File' in + constructor. + +2003-08-20 08:03 hkmoffa + + * Cantera/src/importCTML.cpp: More comments added + +2003-08-19 15:02 hkmoffa + + * Cantera/python/Cantera/ctml_writer.py: Fixed an error in an + argument list + +2003-08-19 10:28 hkmoffa + + * tools/src/: Makefile.in, ck2cti.cpp, ck2ctml.cpp, cti2ctml.cpp: + Added some conversion programs. + +2003-08-19 07:57 hkmoffa + + * Cantera/src/SurfPhase.h: Added more comments + +2003-08-17 22:05 dggoodwin + + * Cantera/python/Cantera/ctml_writer.py: added support for + specified reaction order, sticking coefficients, coverage + dependence of rate coefficients; fixed error where site_density + was not being converted to SI. + +2003-08-17 12:14 dggoodwin + + * Cantera/src/RateCoeffMgr.h: added comments + +2003-08-17 11:56 dggoodwin + + * Cantera/src/importCTML.cpp: Added support for coverage-dependent + reaction rates and sticking coefficients, and reactions with + specified reaction order. + +2003-08-17 05:47 dggoodwin + + * Cantera/src/Kinetics.h: cleaned up and added more comments + +2003-08-16 13:17 dggoodwin + + * Cantera/python/Cantera/ctml_writer.py: changed handling of + reaction pre-exponential units to write converted value to CTML, + rather than pass original value with a units string + +2003-08-14 09:06 hkmoffa + + * Cantera/src/Kinetics.h: Organized the functions to list better + under doxygen. Added more comments. Didn't change any of the + actual code. + +2003-08-13 08:24 hkmoffa + + * Cantera/src/xml.cpp: Fixed an error with build(). Basically it + was having trouble with the tag "--". I think that tag is illegal + anyway. + +2003-08-12 17:55 hkmoffa + + * Cantera/src/xml.cpp: Fixed two errors in reading an xml file. + 1) empty child xml elements had an extra / character being added + onto the end of their name 2) comments with beginning and + ending white space were being copied with an extra space + added on to the front and end of the string. + +2003-08-11 10:08 hkmoffa + + * Cantera/src/State.h: Added comments. + +2003-08-11 09:13 hkmoffa + + * Cantera/src/Kinetics.h: Added more comments. + +2003-08-08 12:58 hkmoffa + + * Cantera/src/InterfaceKinetics.cpp: Added more comment.s + +2003-08-07 14:49 hkmoffa + + * test_problems/surfkin/surface.xml: Updated the xml data file + +2003-08-07 14:42 hkmoffa + + * Cantera/src/Makefile.in: Added a make hdr-collect line. This is + needed because the .h files in the build directory should be kept + up to date with the .a files in the build directory. Thus, you + need to update. Obviously, a more refined approach could be + envisioned where only out of date .h files are copied. + +2003-08-07 08:59 hkmoffa + + * Cantera/src/importCTML.cpp: Added a lot of comments to the + routine. + +2003-08-06 17:23 hkmoffa + + * test_problems/Makefile.in: Added the Makefile.in input file + +2003-08-06 17:22 hkmoffa + + * test_problems/cxx_ex/: kin1_blessed.csv, tr1_blessed.csv, + tr2_blessed.csv: Rebaselined these three tests. The results had + changed in the 3rd significant digit. + + The changes, according to Goodwin, were most likely due to the + change in the method of inclusion of the activation energies. + Basically, a non standard kcal/mole conversion method was used to + convert activation energies to temperatures internally. + +2003-08-06 17:16 hkmoffa + + * Cantera/src/ct2ctml.cpp: Fixed an error in get_CTML_Tree() where + the program wouldn't use the path where the file was found, but + would assume the file was located in the current directory. This + caused an empty ifstream to be send to build(), which then + created an infinite loop (probably another error in build() that + needs to be fixed). + +2003-08-06 16:16 hkmoffa + + * Cantera/src/converters/Makefile.in: Broke a long line in two + +2003-08-06 15:43 hkmoffa + + * config/: configure, configure.in: Added the surfkin directory + +2003-08-06 11:30 hkmoffa + + * test_problems/cxx_ex/: gri30.xml, silane.xml: Updated xml files + +2003-08-06 11:15 hkmoffa + + * include/: GRI30.h, IdealGasMix.h: Fixed GRI30.h. The id was wrong + and caused a test problem to fail. + +2003-08-06 11:13 hkmoffa + + * examples/cxx/.cvsignore: Added to cvsignore list + +2003-08-06 10:32 hkmoffa + + * test_problems/surfkin/: .cvsignore, Interface.h, Makefile.in, + output_blessed.txt, runtest, surface.xml, surfdemo.cpp: Added a + simple test that calculate a rate of production for a surface + mechanism + +2003-08-06 10:14 hkmoffa + + * Cantera/src/ctml.cpp: Added a get_CTML_Tree() function. It was + missing though there was an entry in ctml.h and IdealGasMix.h + used it. + +2003-08-06 10:10 hkmoffa + + * test_problems/silane_equil/silane.xml: updated xml file. test + passes. + +2003-08-04 16:15 hkmoffa + + * Cantera/src/: GasKinetics.cpp, GasKinetics.h: Added a bunch of + new routines to return delta thermo values and reaction rate + constants. + +2003-08-04 16:10 hkmoffa + + * Cantera/src/converters/: ck2ct.cpp, ck2ctml.cpp: Fixed up a + couple of issues with the stringstream block. That block works + for reading transport databases with comments in them. The other + block seems to get hung up. + +2003-08-04 07:27 hkmoffa + + * tools/src/Makefile.in: Added a dependency to library files + +2003-08-01 17:37 hkmoffa + + * Cantera/src/RateCoeffMgr.h: added a comment. + +2003-08-01 17:36 hkmoffa + + * Cantera/src/: ThermoFactory.cpp, ThermoFactory.h: Added a + specific named error condition for when the thermo factory can't + find a match against a known ThermoPhase derivative class. This + can be (and is in cttables) used to catch thrown errors, so that + the kernel can be made extensible wrt other ThermoPhase + derivative classes it may not know about. + +2003-08-01 17:34 hkmoffa + + * Cantera/src/: KineticsFactory.cpp, KineticsFactory.h: Added a + specific named error for not matching against a kinetics model. + This can be (and is in cttables) used to catch a thrown error + condition to make the kernel extensible wrt new kinetics + managers. + +2003-08-01 17:29 hkmoffa + + * Cantera/src/InterfaceKinetics.cpp: Added a few comments + +2003-08-01 17:28 hkmoffa + + * Cantera/src/InterfaceKinetics.h: Added a comment block + +2003-08-01 17:27 hkmoffa + + * Cantera/src/Kinetics.h: Organized the routines into sections. + Added a bunch of routines that report the change in thermo + quantities due to reactions. + +2003-08-01 17:25 hkmoffa + + * Cantera/src/xml.cpp: Took out print statements in debug blocks + +2003-08-01 17:24 hkmoffa + + * Cantera/src/: ThermoPhase.cpp, ThermoPhase.h: Added a function + getUnitsStandardConc() that will report in a vector form what the + units are (in MKS) for the standard and generalized + concentrations. This is used to find what the units are for + reaction rate constants and is used by cttables to actually print + out the units for reaction rate constants. + +2003-08-01 17:16 hkmoffa + + * Cantera/src/transport/: MixTransport.cpp, MixTransport.h, + MultiTransport.cpp, MultiTransport.h, TransportBase.h, + TransportFactory.cpp, TransportFactory.h: Added a function to + MixTransport and MultiTransport that returns all of the raw + transport data input from the original database. I am using this + in cttables for the print out to provide closure to the user's + expectations. + +2003-08-01 13:50 hkmoffa + + * Cantera/src/State.h: Added one more routine, needed to get at + private data + +2003-08-01 13:13 hkmoffa + + * Cantera/src/ctml.cpp: Slight change in comment + +2003-08-01 12:44 hkmoffa + + * Cantera/src/ctvector.cpp: Check for null before deleting or + copying. Not strictly necessary, but good form. + +2003-08-01 12:43 hkmoffa + + * Cantera/src/mix_defs.h: Added descriptions of the ThermoPhase + classes known to this routine. + +2003-08-01 12:42 hkmoffa + + * Cantera/src/ctml.cpp: UPgraded one error condition statement + +2003-07-29 15:37 dggoodwin + + * Cantera/src/State.h: moved some methods to State.cpp + +2003-07-29 15:32 dggoodwin + + * Cantera/src/State.cpp: initial import + +2003-07-25 13:46 hkmoffa + + * Cantera/src/: xml.cpp, xml.h: Fixed several serious errors and + added a couple of routines. 1) the read operation would hash + any quoted string with a space character in it. 2) + changed children() to return a reference rather than the + complete object 3) write() would leave off the final endl + character. This has been fixed. Additions: copy() + copyUnion(): union of two trees; this routine may be problematic + findXMLPhase(): phase lookup. Notes: find_XML() still + contains a memory leak. + +2003-07-24 08:58 hkmoffa + + * Cantera/src/Kinetics.h: Fixed an error in the Constructor + function. m_indexPhase wasn't being set at all + +2003-07-23 14:54 hkmoffa + + * Cantera/src/Kinetics.h: Added a lot of comments to the header + file + +2003-07-23 14:53 hkmoffa + + * Cantera/src/ConstDensityThermo.h: Took out an unnecessary + redefinition of m_kk from an inherited class + +2003-07-23 14:51 hkmoffa + + * Cantera/src/stringUtils.cpp: Slight formatting change + +2003-07-23 08:41 hkmoffa + + * Cantera/src/StoichManager.h: Added comments to the file + +2003-07-21 09:28 hkmoffa + + * Cantera/src/Elements.h: Took out a surplus doxygen comment about + the Cantera Namespace. It created an error during doxygen + compilation + +2003-07-21 09:26 hkmoffa + + * Cantera/src/ThermoPhase.h: Added more doxygen comments to the + files. Added a catch/throw block to setstate_TPX(). + +2003-07-21 09:08 hkmoffa + + * Cantera/src/State.h: Commented the member data. + +2003-07-21 09:02 hkmoffa + + * Cantera/src/Constituents.h: Took out a double nested @name that + gave a warning to doxygen + +2003-07-18 13:19 hkmoffa + + * Cantera/src/Phase.h: Added comments about m_kk needing to be + restated in this class. + +2003-07-07 09:45 hkmoffa + + * Cantera/src/ResidEval.h: Added more functions to the virtual base + class. This will mean that all classes that inherit from this + class will be broken until they too add definitions for these + functions. + +2003-07-07 09:39 hkmoffa + + * Cantera/src/converters/ck2ctml.cpp: Commented out several + statically defined functions that were not used in the file. + +2003-07-07 08:35 hkmoffa + + * Cantera/src/SolidCompound.h: Fixed a compiler warning. Linux + warns against initialization lists which are not in the same + order as items in the class itself. + +2003-07-04 00:35 dggoodwin + + * tools/bin/finish_install.py: added 'source setup_cantera' + +2003-07-04 00:18 dggoodwin + + * tools/bin/finish_install.py: added warning if the Python + interface does not install. + +2003-07-03 09:23 hkmoffa + + * Cantera/src/Array.h: Added the function ptrColumn(), which + returns a pointer to the top of a column of the matrix. + +2003-06-27 07:08 dggoodwin + + * Cantera/src/converters/ck2ctml.cpp: corrected bug in addTransport + +2003-06-27 07:07 dggoodwin + + * tools/bin/finish_install.py: added script to set matlab path + +2003-06-11 14:33 hkmoffa + + * Cantera/src/.cvsignore: Added another file to this list + +2003-06-10 09:39 hkmoffa + + * Cantera/src/misc.cpp: Fixed a typo in a comment + +2003-06-10 09:32 hkmoffa + + * test_problems/silane_equil/.cvsignore: Added a file to the ignore + list, created during the test + +2003-06-10 08:27 hkmoffa + + * Cantera/src/Makefile.in: Uncommented the tpx rule + +2003-06-10 08:26 hkmoffa + + * Cantera/matlab/Makefile.in: Took out the references to the + directories, 1D/@Domain1D/private and 1D/@Stack/private. They + don't currently exist in the present version of the distribution. + +2003-06-10 08:07 hkmoffa + + * include/.cvsignore: Added a .cvsignore file + +2003-06-10 08:02 hkmoffa + + * tools/templates/: f77/.cvsignore, cxx/.cvsignore: Added a + .cvsignore file + +2003-06-09 17:19 hkmoffa + + * Cantera/cxx/.cvsignore: Added this file so that cvs update + doesn't flag Makefile + +2003-06-09 15:02 hkmoffa + + * tools/src/.cvsignore: Added a file to the ignore list + +2003-06-08 08:18 dggoodwin + + * Cantera/matlab/cantera/@Transport/trans_hndl.m: initial import + +2003-06-08 07:52 dggoodwin + + * Cantera/: cxx/writelog.cpp, python/src/writelog.cpp, + matlab/cantera/private/write.cpp: initial import + +2003-06-08 07:41 dggoodwin + + * Cantera/src/oneD/boundaries1D.cpp: initial import + +2003-05-13 12:43 dggoodwin + + * Cantera/src/: DASPK.h, InterfaceKinetics.cpp, ReactionPath.cpp, + ReactionPath.h, funcs.cpp, importCTML.cpp, misc.cpp, + oneD/Inlet1D.h, oneD/Makefile.in, oneD/MultiNewton.cpp, + oneD/OneDim.cpp, oneD/OneDim.h, oneD/Resid1D.h, oneD/Sim1D.cpp, + oneD/Sim1D.h, oneD/StFlow.cpp, oneD/StFlow.h, + oneD/newton_utils.cpp, oneD/refine.cpp, oneD/refine.h: - + +2003-05-06 07:20 dggoodwin + + * tools/templates/cxx/: demo.cpp, demo.mak.in: fixed errors + +2003-05-06 06:36 dggoodwin + + * tools/templates/cxx/: demo.cpp, demo.mak.in: initial import + +2003-04-24 02:48 dggoodwin + + * Cantera/python/examples/function1.py: initial import + +2003-04-21 11:16 dggoodwin + + * tools/doc/: Cantera.cfg, ct.css, footer.html, header.html: + initial import + +2003-04-21 02:55 dggoodwin + + * Makefile.in: corrected lib directory + +2003-04-20 07:40 dggoodwin + + * Cantera/matlab/Makefile.in: fixed library in Makefile.in + +2003-04-20 06:26 dggoodwin + + * Cantera/: matlab/.cvsignore, matlab/cantera/.cvsignore, + python/.cvsignore, src/.cvsignore: added .cvsignore in mattlab + +2003-04-20 06:21 dggoodwin + + * config/: configure, configure.in: added target to buildlib + +2003-04-20 06:18 dggoodwin + + * Cantera/python/: Makefile.in, setup.py, setup.py.in: perform + configuration of setup.py + +2003-04-18 16:19 dggoodwin + + * include/: GRI30.h, onedim.h, reactionpaths.h, transport.h, + zerodim.h: minor cleanup + +2003-04-18 04:00 dggoodwin + + * tools/templates/f77/: demo.mak.in, demo_ftnlib.cpp, + sample.mak.in: renamed sample.mak.in to demo.mak.in + +2003-04-14 10:57 dggoodwin + + * .cvsignore, INSTALLING, License.rtf, License.txt, Makefile.in, + README, config.h, config.h.in, configure, apps/README.txt, + apps/MixMaster/.cvsignore, apps/MixMaster/CompositionFrame.py, + apps/MixMaster/ControlPanel.py, apps/MixMaster/DataFrame.py, + apps/MixMaster/DataGraph.py, apps/MixMaster/Edit.py, + apps/MixMaster/ElementFrame.py, apps/MixMaster/GraphFrame.py, + apps/MixMaster/__init__.py, apps/MixMaster/config.py, + apps/MixMaster/flowpanel.py, Cantera/.cvsignore, + Cantera/Makefile.in, Cantera/clib/src/.cvsignore, + Cantera/clib/src/Cabinet.h, Cantera/clib/src/Makefile.in, + Cantera/clib/src/Storage.cpp, Cantera/clib/src/Storage.h, + Cantera/clib/src/clib_defs.h, Cantera/clib/src/ct.cpp, + Cantera/clib/src/ct.h, Cantera/clib/src/ctbdry.cpp, + Cantera/clib/src/ctbdry.h, Cantera/clib/src/ctfunc.cpp, + Cantera/clib/src/ctfunc.h, Cantera/clib/src/ctnum.cpp, + Cantera/clib/src/ctnum.h, Cantera/clib/src/ctreactor.cpp, + Cantera/clib/src/ctreactor.h, Cantera/clib/src/ctrpath.cpp, + Cantera/clib/src/ctrpath.h, Cantera/clib/src/ctstagn.cpp, + Cantera/clib/src/ctstagn.h, Cantera/clib/src/ctsurf.cpp, + Cantera/clib/src/ctsurf.h, Cantera/clib/src/ctxml.cpp, + Cantera/clib/src/ctxml.h, Cantera/cxx/README, Cantera/lib/README, + Cantera/matlab/Makefile.in, Cantera/matlab/setup_matlab.py, + Cantera/matlab/cantera/Contents.m, + Cantera/matlab/cantera/GRI30.m, + Cantera/matlab/cantera/IdealGasMix.m, + Cantera/matlab/cantera/MassFlowController.m, + Cantera/matlab/cantera/Reservoir.m, + Cantera/matlab/cantera/Valve.m, Cantera/matlab/cantera/adddir.m, + Cantera/matlab/cantera/air.m, Cantera/matlab/cantera/build.m, + Cantera/matlab/cantera/buildux.m, + Cantera/matlab/cantera/buildwin.m, + Cantera/matlab/cantera/ck2ctml.m, Cantera/matlab/cantera/conhp.m, + Cantera/matlab/cantera/constants.m, + Cantera/matlab/cantera/conuv.m, + Cantera/matlab/cantera/gasconstant.m, + Cantera/matlab/cantera/geterr.m, + Cantera/matlab/cantera/mexopts.sh, + Cantera/matlab/cantera/oneatm.m, + Cantera/matlab/cantera/reactor_ode.m, + Cantera/matlab/cantera/@FlowDevice/FlowDevice.m, + Cantera/matlab/cantera/@FlowDevice/clear.m, + Cantera/matlab/cantera/@FlowDevice/install.m, + Cantera/matlab/cantera/@FlowDevice/massFlowRate.m, + Cantera/matlab/cantera/@FlowDevice/setMassFlowRate.m, + Cantera/matlab/cantera/@FlowDevice/setValveCoeff.m, + Cantera/matlab/cantera/@FlowDevice/private/flowdevicemethods.m, + Cantera/matlab/cantera/@Kinetics/Kinetics.m, + Cantera/matlab/cantera/@Kinetics/clear.m, + Cantera/matlab/cantera/@Kinetics/creationRates.m, + Cantera/matlab/cantera/@Kinetics/destructionRates.m, + Cantera/matlab/cantera/@Kinetics/destruction_rates.m, + Cantera/matlab/cantera/@Kinetics/equil_Kc.m, + Cantera/matlab/cantera/@Kinetics/hndl.m, + Cantera/matlab/cantera/@Kinetics/isReversible.m, + Cantera/matlab/cantera/@Kinetics/kinetics_hndl.m, + Cantera/matlab/cantera/@Kinetics/multiplier.m, + Cantera/matlab/cantera/@Kinetics/nReactions.m, + Cantera/matlab/cantera/@Kinetics/nTotalSpecies.m, + Cantera/matlab/cantera/@Kinetics/netProdRates.m, + Cantera/matlab/cantera/@Kinetics/reactionEqn.m, + Cantera/matlab/cantera/@Kinetics/rop.m, + Cantera/matlab/cantera/@Kinetics/rop_f.m, + Cantera/matlab/cantera/@Kinetics/rop_net.m, + Cantera/matlab/cantera/@Kinetics/rop_r.m, + Cantera/matlab/cantera/@Kinetics/rxnEqs.m, + Cantera/matlab/cantera/@Kinetics/setMultiplier.m, + Cantera/matlab/cantera/@Kinetics/stoich_net.m, + Cantera/matlab/cantera/@Kinetics/stoich_p.m, + Cantera/matlab/cantera/@Kinetics/stoich_r.m, + Cantera/matlab/cantera/@Kinetics/ydot.m, + Cantera/matlab/cantera/@Kinetics/private/delkinetics.cpp, + Cantera/matlab/cantera/@Kinetics/private/isrev.cpp, + Cantera/matlab/cantera/@Kinetics/private/kin_get.cpp, + Cantera/matlab/cantera/@Kinetics/private/kin_set.cpp, + Cantera/matlab/cantera/@Kinetics/private/kinetics_get.m, + Cantera/matlab/cantera/@Kinetics/private/kinetics_set.m, + Cantera/matlab/cantera/@Kinetics/private/newkinetics.cpp, + Cantera/matlab/cantera/@Kinetics/private/production.cpp, + Cantera/matlab/cantera/@Kinetics/private/pstoich.cpp, + Cantera/matlab/cantera/@Kinetics/private/rop.cpp, + Cantera/matlab/cantera/@Kinetics/private/rstoich.cpp, + Cantera/matlab/cantera/@Kinetics/private/rxnstring.cpp, + Cantera/matlab/cantera/@Reactor/Reactor.m, + Cantera/matlab/cantera/@Reactor/advance.m, + Cantera/matlab/cantera/@Reactor/clear.m, + Cantera/matlab/cantera/@Reactor/density.m, + Cantera/matlab/cantera/@Reactor/enthalpy_mass.m, + Cantera/matlab/cantera/@Reactor/hndl.m, + Cantera/matlab/cantera/@Reactor/insert.m, + Cantera/matlab/cantera/@Reactor/intEnergy_mass.m, + Cantera/matlab/cantera/@Reactor/mass.m, + Cantera/matlab/cantera/@Reactor/massFraction.m, + Cantera/matlab/cantera/@Reactor/massFractions.m, + Cantera/matlab/cantera/@Reactor/pressure.m, + Cantera/matlab/cantera/@Reactor/reactor_hndl.m, + Cantera/matlab/cantera/@Reactor/setEnergy.m, + Cantera/matlab/cantera/@Reactor/setInitialTime.m, + Cantera/matlab/cantera/@Reactor/setInitialVolume.m, + Cantera/matlab/cantera/@Reactor/setKineticsMgr.m, + Cantera/matlab/cantera/@Reactor/setThermoMgr.m, + Cantera/matlab/cantera/@Reactor/step.m, + Cantera/matlab/cantera/@Reactor/temperature.m, + Cantera/matlab/cantera/@Reactor/time.m, + Cantera/matlab/cantera/@Reactor/volume.m, + Cantera/matlab/cantera/@Reactor/private/reactormethods.cpp, + Cantera/matlab/cantera/@Reactor/private/reactormethods.m, + Cantera/matlab/cantera/@Solution/Solution.m, + Cantera/matlab/cantera/@Solution/clear.m, + Cantera/matlab/cantera/@Solution/display.m, + Cantera/matlab/cantera/@Solution/set.m, + Cantera/matlab/cantera/@Solution/soundspeed.m, + Cantera/matlab/cantera/@ThermoPhase/ThermoPhase.m, + Cantera/matlab/cantera/@ThermoPhase/atomicMasses.m, + Cantera/matlab/cantera/@ThermoPhase/chemPotentials.m, + Cantera/matlab/cantera/@ThermoPhase/clear.m, + Cantera/matlab/cantera/@ThermoPhase/cp_R.m, + Cantera/matlab/cantera/@ThermoPhase/cp_mass.m, + Cantera/matlab/cantera/@ThermoPhase/cp_mole.m, + Cantera/matlab/cantera/@ThermoPhase/cv_mass.m, + Cantera/matlab/cantera/@ThermoPhase/cv_mole.m, + Cantera/matlab/cantera/@ThermoPhase/density.m, + Cantera/matlab/cantera/@ThermoPhase/elementIndex.m, + Cantera/matlab/cantera/@ThermoPhase/elementName.m, + Cantera/matlab/cantera/@ThermoPhase/enthalpies_RT.m, + Cantera/matlab/cantera/@ThermoPhase/enthalpy_mass.m, + Cantera/matlab/cantera/@ThermoPhase/enthalpy_mole.m, + Cantera/matlab/cantera/@ThermoPhase/entropies_R.m, + Cantera/matlab/cantera/@ThermoPhase/entropy_mass.m, + Cantera/matlab/cantera/@ThermoPhase/entropy_mole.m, + Cantera/matlab/cantera/@ThermoPhase/eosType.m, + Cantera/matlab/cantera/@ThermoPhase/equilibrate.m, + Cantera/matlab/cantera/@ThermoPhase/gibbs_RT.m, + Cantera/matlab/cantera/@ThermoPhase/gibbs_mass.m, + Cantera/matlab/cantera/@ThermoPhase/gibbs_mole.m, + Cantera/matlab/cantera/@ThermoPhase/hndl.m, + Cantera/matlab/cantera/@ThermoPhase/intEnergy_mass.m, + Cantera/matlab/cantera/@ThermoPhase/intEnergy_mole.m, + Cantera/matlab/cantera/@ThermoPhase/isIdealGas.m, + Cantera/matlab/cantera/@ThermoPhase/massFractions.m, + Cantera/matlab/cantera/@ThermoPhase/maxTemp.m, + Cantera/matlab/cantera/@ThermoPhase/meanMolarMass.m, + Cantera/matlab/cantera/@ThermoPhase/meanMolecularWeight.m, + Cantera/matlab/cantera/@ThermoPhase/minTemp.m, + Cantera/matlab/cantera/@ThermoPhase/molarDensity.m, + Cantera/matlab/cantera/@ThermoPhase/molarMasses.m, + Cantera/matlab/cantera/@ThermoPhase/moleFractions.m, + Cantera/matlab/cantera/@ThermoPhase/molecularWeights.m, + Cantera/matlab/cantera/@ThermoPhase/nAtoms.m, + Cantera/matlab/cantera/@ThermoPhase/nElements.m, + Cantera/matlab/cantera/@ThermoPhase/nSpecies.m, + Cantera/matlab/cantera/@ThermoPhase/ph.m, + Cantera/matlab/cantera/@ThermoPhase/pressure.m, + Cantera/matlab/cantera/@ThermoPhase/refPressure.m, + Cantera/matlab/cantera/@ThermoPhase/set.m, + Cantera/matlab/cantera/@ThermoPhase/setDensity.m, + Cantera/matlab/cantera/@ThermoPhase/setMassFractions.m, + Cantera/matlab/cantera/@ThermoPhase/setMoleFractions.m, + Cantera/matlab/cantera/@ThermoPhase/setPressure.m, + Cantera/matlab/cantera/@ThermoPhase/setState.m, + Cantera/matlab/cantera/@ThermoPhase/setState_HP.m, + Cantera/matlab/cantera/@ThermoPhase/setState_SP.m, + Cantera/matlab/cantera/@ThermoPhase/setState_UV.m, + Cantera/matlab/cantera/@ThermoPhase/setTemperature.m, + Cantera/matlab/cantera/@ThermoPhase/speciesIndex.m, + Cantera/matlab/cantera/@ThermoPhase/speciesName.m, + Cantera/matlab/cantera/@ThermoPhase/speciesNames.m, + Cantera/matlab/cantera/@ThermoPhase/temperature.m, + Cantera/matlab/cantera/@ThermoPhase/thermo_hndl.m, + Cantera/matlab/cantera/@ThermoPhase/private/phase_get.m, + Cantera/matlab/cantera/@ThermoPhase/private/phase_set.m, + Cantera/matlab/cantera/@ThermoPhase/private/thermo_get.m, + Cantera/matlab/cantera/@ThermoPhase/private/thermo_set.m, + Cantera/matlab/cantera/@Transport/Transport.m, + Cantera/matlab/cantera/@Transport/binDiffCoeffs.m, + Cantera/matlab/cantera/@Transport/hndl.m, + Cantera/matlab/cantera/@Transport/mixDiffCoeffs.m, + Cantera/matlab/cantera/@Transport/multiDiffCoeffs.m, + Cantera/matlab/cantera/@Transport/thermalConductivity.m, + Cantera/matlab/cantera/@Transport/thermalDiffCoeffs.m, + Cantera/matlab/cantera/@Transport/viscosity.m, + Cantera/matlab/cantera/@Transport/private/newTransport.cpp, + Cantera/matlab/cantera/@Transport/private/trans_get.m, + Cantera/matlab/cantera/@Transport/private/trans_methods.cpp, + Cantera/matlab/cantera/@Wall/Wall.m, + Cantera/matlab/cantera/@Wall/area.m, + Cantera/matlab/cantera/@Wall/install.m, + Cantera/matlab/cantera/@Wall/ready.m, + Cantera/matlab/cantera/@Wall/setArea.m, + Cantera/matlab/cantera/@Wall/setExpansionRateCoeff.m, + Cantera/matlab/cantera/@Wall/setHeatTransferCoeff.m, + Cantera/matlab/cantera/@Wall/setThermalResistance.m, + Cantera/matlab/cantera/@Wall/wall_hndl.m, + Cantera/matlab/cantera/@Wall/private/wallmethods.cpp, + Cantera/matlab/cantera/@Wall/private/wallmethods.m, + Cantera/matlab/cantera/@XML_Node/XML_Node.m, + Cantera/matlab/cantera/@XML_Node/attrib.m, + Cantera/matlab/cantera/@XML_Node/build.m, + Cantera/matlab/cantera/@XML_Node/child.m, + Cantera/matlab/cantera/@XML_Node/hndl.m, + Cantera/matlab/cantera/@XML_Node/value.m, + Cantera/matlab/cantera/@XML_Node/write.m, + Cantera/matlab/cantera/@XML_Node/private/newxml.cpp, + Cantera/matlab/cantera/@XML_Node/private/xmlmethods.cpp, + Cantera/matlab/cantera/examples/equil.m, + Cantera/matlab/cantera/examples/ignite.m, + Cantera/matlab/cantera/examples/ignite2.m, + Cantera/matlab/cantera/examples/ignite3.m, + Cantera/matlab/cantera/examples/ignite_hp.m, + Cantera/matlab/cantera/examples/ignite_uv.m, + Cantera/matlab/cantera/examples/isentropic.m, + Cantera/matlab/cantera/examples/periodic_cstr.m, + Cantera/matlab/cantera/examples/prandtl1.m, + Cantera/matlab/cantera/examples/prandtl2.m, + Cantera/matlab/cantera/examples/reactor1.m, + Cantera/matlab/cantera/examples/reactor2.m, + Cantera/matlab/cantera/examples/run_examples.m, + Cantera/matlab/cantera/examples/transport1.m, + Cantera/matlab/cantera/private/ctfunctions.cpp, + Cantera/matlab/cantera/private/ctmatutils.h, + Cantera/matlab/cantera/private/ctmethods.cpp, + Cantera/matlab/cantera/private/flowdevicemethods.cpp, + Cantera/matlab/cantera/private/importFromFile.m, + Cantera/matlab/cantera/private/kineticsmethods.cpp, + Cantera/matlab/cantera/private/phasemethods.cpp, + Cantera/matlab/cantera/private/reactormethods.cpp, + Cantera/matlab/cantera/private/thermomethods.cpp, + Cantera/matlab/cantera/private/transportmethods.cpp, + Cantera/matlab/cantera/private/wallmethods.cpp, + Cantera/matlab/cantera/private/xmlmethods.cpp, + Cantera/matlab/cantera/tutorial/README, + Cantera/matlab/cantera/tutorial/tut1.m, + Cantera/matlab/cantera/tutorial/tut2.m, + Cantera/matlab/cantera/tutorial/tut3.m, + Cantera/matlab/cantera/tutorial/tut4.m, + Cantera/matlab/cantera/tutorial/tut5.m, + Cantera/matlab/cantera/tutorial/tut6.m, + Cantera/matlab/cantera/tutorial/tut7.m, + Cantera/python/.cvsignore, Cantera/python/Makefile.in, + Cantera/python/setup.py, Cantera/python/Cantera/__init__.py, + Cantera/python/Cantera/boundaries1D.py, + Cantera/python/Cantera/ck2ctml.py, + Cantera/python/Cantera/constants.py, + Cantera/python/Cantera/elements.py, + Cantera/python/Cantera/excel.py, + Cantera/python/Cantera/exceptions.py, + Cantera/python/Cantera/flame.py, apps/MixMaster/ImportFrame.py, + apps/MixMaster/KineticsFrame.py, apps/MixMaster/MechManager.py, + apps/MixMaster/Mix.py, apps/MixMaster/NewFlowFrame.py, + apps/MixMaster/SpeciesFrame.py, apps/MixMaster/SpeciesInfo.py, + apps/MixMaster/ThermoFrame.py, apps/MixMaster/ThermoProp.py, + apps/MixMaster/TransportFrame.py, apps/MixMaster/UnitChooser.py, + apps/MixMaster/gri30.py, apps/MixMaster/main.py, + apps/MixMaster/menu.py, apps/MixMaster/newflow.py, + apps/MixMaster/utilities.py, apps/MixMaster/Units/SI.py, + apps/MixMaster/Units/__init__.py, apps/MixMaster/Units/area.py, + apps/MixMaster/Units/density.py, apps/MixMaster/Units/energy.py, + apps/MixMaster/Units/force.py, apps/MixMaster/Units/length.py, + apps/MixMaster/Units/mass.py, apps/MixMaster/Units/power.py, + apps/MixMaster/Units/pressure.py, + apps/MixMaster/Units/specificEnergy.py, + apps/MixMaster/Units/specificEntropy.py, + apps/MixMaster/Units/speed.py, + apps/MixMaster/Units/temperature.py, + apps/MixMaster/Units/time.py, apps/MixMaster/Units/unit.py, + apps/MixMaster/Units/volume.py, bin/.cvsignore, bin/README, + bin/mixmaster.py, bin/rm_cvsignore, + Cantera/python/Cantera/Flow.py, + Cantera/python/Cantera/FlowBoundary.py, + Cantera/python/Cantera/FlowPlotter.py, + Cantera/python/Cantera/Func.py, + Cantera/python/Cantera/Interface.py, + Cantera/python/Cantera/Kinetics.py, + Cantera/python/Cantera/OneDim.py, + Cantera/python/Cantera/Phase.py, + Cantera/python/Cantera/Reactor.py, + Cantera/python/Cantera/SurfWriter.py, + Cantera/python/Cantera/SurfacePhase.py, + Cantera/python/Cantera/Thermo.py, + Cantera/python/Cantera/ThermoPhase.py, + Cantera/python/Cantera/Transport.py, + Cantera/python/Cantera/XML.py, Cantera/python/Cantera/gases.py, + Cantera/python/Cantera/importFromFile.py, + Cantera/python/Cantera/interp.py, + Cantera/python/Cantera/refine.py, + Cantera/python/Cantera/rxnpath.py, + Cantera/python/Cantera/schem.py, Cantera/python/Cantera/set.py, + Cantera/python/Cantera/solids.py, + Cantera/python/Cantera/solution.py, + Cantera/python/Cantera/solve.py, + Cantera/python/Cantera/stoich.py, + Cantera/python/Cantera/tecplot.py, + Cantera/python/Cantera/units.py, + Cantera/python/examples/flame1.py, + Cantera/python/examples/flame2.py, + Cantera/python/examples/isentropic.py, + Cantera/python/examples/reactor1.py, + Cantera/python/examples/reactor2.py, + Cantera/python/examples/rxnpath1.py, + Cantera/python/examples/rxnpath2.py, + Cantera/python/examples/stflame1.py, + Cantera/python/examples/stflame2.py, + Cantera/python/src/.cvsignore, Cantera/python/src/Makefile.in, + Cantera/python/src/cantera.def, + Cantera/python/src/canteramodule.cpp, Cantera/python/src/ct.def, + Cantera/python/src/ctbndry_methods.cpp, + Cantera/python/src/ctflow.cpp, Cantera/python/src/ctflow.def, + Cantera/python/src/ctflow_methods.cpp, + Cantera/python/src/ctfunc_methods.cpp, + Cantera/python/src/ctfuncs.cpp, + Cantera/python/src/ctkinetics.cpp, + Cantera/python/src/ctkinetics.def, + Cantera/python/src/ctkinetics_methods.cpp, + Cantera/python/src/ctmodule.cpp, + Cantera/python/src/ctnumerics.cpp, + Cantera/python/src/ctnumerics.def, + Cantera/python/src/ctphase.cpp, Cantera/python/src/ctphase.def, + Cantera/python/src/ctphase_methods.cpp, + Cantera/python/src/ctpy.cpp, Cantera/python/src/ctpybndry.cpp, + Cantera/python/src/ctpyfunc.cpp, + Cantera/python/src/ctpyreactor.cpp, + Cantera/python/src/ctpyrpath.cpp, + Cantera/python/src/ctpysurf.cpp, Cantera/python/src/ctpyxml.cpp, + Cantera/python/src/ctreactor_methods.cpp, + Cantera/python/src/ctrpath_methods.cpp, + Cantera/python/src/ctsurf.cpp, Cantera/python/src/ctsurf.def, + Cantera/python/src/ctsurf_methods.cpp, + Cantera/python/src/ctthermo.cpp, Cantera/python/src/ctthermo.def, + Cantera/python/src/ctthermo_methods.cpp, + Cantera/python/src/cttransport.cpp, + Cantera/python/src/cttransport.def, + Cantera/python/src/cttransport_methods.cpp, + Cantera/python/src/ctxml_methods.cpp, + Cantera/python/src/methods.h, Cantera/python/src/pycantera.cpp, + Cantera/python/src/pyutils.h, + Cantera/python/src/reactionpath.cpp, + Cantera/python/tutorial/tut1.py, Cantera/python/tutorial/tut2.py, + Cantera/python/tutorial/tut4.py, Cantera/src/.cvsignore, + Cantera/src/Array.h, Cantera/src/ArrayViewer.h, + Cantera/src/BandMatrix.cpp, Cantera/src/BandMatrix.h, + Cantera/src/ChemEquil.cpp, Cantera/src/ChemEquil.h, + Cantera/src/ConstDensityThermo.cpp, + Cantera/src/ConstDensityThermo.h, Cantera/src/config.h, + Cantera/src/CVode.cpp, Cantera/src/CVode.h, + Cantera/src/Constituents.cpp, Cantera/src/Constituents.h, + Cantera/src/DASPK.cpp, Cantera/src/DASPK.h, + Cantera/src/DenseMatrix.cpp, Cantera/src/DenseMatrix.h, + Cantera/src/EOS_TPX.h, Cantera/src/Elements.cpp, + Cantera/src/Elements.h, Cantera/src/Enhanced3BConc.h, + Cantera/src/FILES, Cantera/src/FalloffFactory.cpp, + Cantera/src/FalloffFactory.h, Cantera/src/FalloffMgr.h, + Cantera/src/Flow1D.h, Cantera/src/FtnODESys.h, + Cantera/src/Func1.h, Cantera/src/FuncEval.h, Cantera/src/GRI30.h, + Cantera/src/GRI_30_Kinetics.cpp, Cantera/src/GRI_30_Kinetics.h, + Cantera/src/GasKinetics.cpp, Cantera/src/GasKinetics.h, + Cantera/src/GasKineticsWriter.cpp, + Cantera/src/GasKineticsWriter.h, Cantera/src/Group.cpp, + Cantera/src/Group.h, Cantera/src/IdealGasPhase.cpp, + Cantera/src/IdealGasPhase.h, Cantera/src/IdealGasThermo.cpp, + Cantera/src/IdealGasThermo.h, Cantera/src/ImplicitChem.cpp, + Cantera/src/ImplicitChem.h, Cantera/src/ImplicitSurfChem.cpp, + Cantera/src/ImplicitSurfChem.h, + Cantera/src/IncompressibleThermo.h, Cantera/src/Integrator.h, + Cantera/src/InterfaceKinetics.cpp, + Cantera/src/InterfaceKinetics.h, Cantera/src/Jac2.h, + Cantera/src/Kinetics.h, Cantera/src/KineticsFactory.cpp, + Cantera/src/KineticsFactory.h, Cantera/src/L_matrix.h, + Cantera/src/MMCollisionInt.cpp, Cantera/src/Makefile.in, + Cantera/src/MixTransport.cpp, Cantera/src/MultiDomain.h, + Cantera/src/NasaPoly1.h, Cantera/src/NasaThermo.h, + Cantera/src/Newton.h, Cantera/src/Phase.cpp, + Cantera/src/ct_defs.h, Cantera/src/ctexceptions.h, + Cantera/src/ctlapack.h, Cantera/src/ctml.cpp, Cantera/src/ctml.h, + Cantera/src/ctvector.cpp, Cantera/src/ctvector.h, + Cantera/src/exceptions.h, Cantera/src/fitPoly.h, + Cantera/src/flowBoundaries.h, Cantera/src/funcs.cpp, + Cantera/src/gases.h, Cantera/src/global.h, Cantera/src/import.h, + Cantera/src/importCTML.cpp, Cantera/src/importCTML.h, + Cantera/src/importSurfChem.cpp, Cantera/src/importXML.h, + Cantera/src/lapack.h, Cantera/src/misc.cpp, + Cantera/src/mix_defs.h, Cantera/src/mix_utils.h, + Cantera/src/newton_utils.cpp, Cantera/src/Phase.h, + Cantera/src/PolyThermo.h, Cantera/src/PolyThermoMgr.h, + Cantera/src/PropertyCalculator.h, Cantera/src/PropertyUpdater.h, + Cantera/src/RateCoeffMgr.h, Cantera/src/ReactionData.h, + Cantera/src/ReactionPath.cpp, Cantera/src/ReactionPath.h, + Cantera/src/Resid.h, Cantera/src/Resid1D.h, + Cantera/src/ResidEval.h, Cantera/src/RxnRates.h, + Cantera/src/ShomatePoly.h, Cantera/src/ShomateThermo.h, + Cantera/src/SimpleThermo.h, Cantera/src/SpeciesThermo.h, + Cantera/src/SpeciesThermoFactory.cpp, + Cantera/src/SpeciesThermoFactory.h, + Cantera/src/SpeciesThermoMgr.h, Cantera/src/State.h, + Cantera/src/StoichManager.h, Cantera/src/Surf1D.h, + Cantera/src/SurfPhase.h, Cantera/src/Thermo.h, + Cantera/src/ThermoFactory.cpp, Cantera/src/ThermoFactory.h, + Cantera/src/ThermoPhase.cpp, Cantera/src/ThermoPhase.h, + Cantera/src/ThirdBodyMgr.h, Cantera/src/TigerPolynomial.h, + Cantera/src/plots.cpp, Cantera/src/plots.h, + Cantera/src/polyfit.h, Cantera/src/pureSubstances.h, + Cantera/src/reaction_defs.h, Cantera/src/recipes.h, + Cantera/src/sort.cpp, Cantera/src/sort.h, + Cantera/src/speciesThermoTypes.h, Cantera/src/stringUtils.cpp, + Cantera/src/stringUtils.h, Cantera/src/surfKinetics.cpp, + Cantera/src/surfKinetics.h, Cantera/src/surfacePhase.h, + Cantera/src/transportModels.h, Cantera/src/units.h, + Cantera/src/updaters.h, Cantera/src/utilities.h, + Cantera/src/vec_functions.h, Cantera/src/xml.cpp, + Cantera/src/xml.h, Cantera/src/converters/.cvsignore, + Cantera/src/converters/CKParser.cpp, + Cantera/src/converters/CKParser.h, + Cantera/src/converters/CKReader.cpp, + Cantera/src/converters/CKReader.h, + Cantera/src/converters/Constituent.h, + Cantera/src/converters/Element.h, Cantera/src/converters/Group.h, + Cantera/src/converters/Makefile.in, + Cantera/src/converters/Reaction.cpp, + Cantera/src/converters/Reaction.h, + Cantera/src/converters/RxnSpecies.h, + Cantera/src/converters/Species.h, + Cantera/src/converters/atomicWeightDB.cpp, + Cantera/src/converters/ck2ctml.cpp, + Cantera/src/converters/ck2ctml.h, + Cantera/src/converters/ckr_defs.h, + Cantera/src/converters/ckr_utils.cpp, + Cantera/src/converters/ckr_utils.h, + Cantera/src/converters/config.h, + Cantera/src/converters/filter.cpp, + Cantera/src/converters/thermoFunctions.cpp, + Cantera/src/converters/thermoFunctions.h, + Cantera/src/converters/writelog.cpp, + Cantera/src/converters/writelog.h, Cantera/src/oneD/.cvsignore, + Cantera/src/oneD/Inlet1D.h, Cantera/src/oneD/Jac1D.h, + Cantera/src/oneD/Makefile.in, Cantera/src/oneD/MultiJac.cpp, + Cantera/src/oneD/MultiJac.h, Cantera/src/oneD/MultiNewton.cpp, + Cantera/src/oneD/MultiNewton.h, Cantera/src/oneD/Newton1D.h, + Cantera/src/oneD/OneDim.cpp, Cantera/src/oneD/OneDim.h, + Cantera/src/oneD/Resid1D.h, Cantera/src/oneD/newton_utils.cpp, + Cantera/src/oneD/StFlow.cpp, Cantera/src/oneD/StFlow.h, + Cantera/src/oneD/Surf1D.h, Cantera/src/transport/.cvsignore, + Cantera/src/transport/FtnTransport.h, + Cantera/src/transport/MMCollisionInt.cpp, + Cantera/src/transport/MMCollisionInt.h, + Cantera/src/transport/Makefile.in, + Cantera/src/transport/MixTransport.cpp, + Cantera/src/transport/MixTransport.h, + Cantera/src/transport/MultiTransport.cpp, + Cantera/src/transport/MultiTransport.h, + Cantera/src/transport/TransportBase.h, + Cantera/src/transport/TransportFactory.cpp, + Cantera/src/transport/TransportFactory.h, + Cantera/src/transport/TransportParams.h, + Cantera/src/zeroD/.cvsignore, Cantera/src/zeroD/FlowDevice.cpp, + Cantera/src/zeroD/FlowDevice.h, Cantera/src/zeroD/Makefile.in, + Cantera/src/zeroD/PID_Controller.h, + Cantera/src/zeroD/Reactor.cpp, Cantera/src/zeroD/Reactor.h, + Cantera/src/zeroD/ReactorBase.cpp, + Cantera/src/zeroD/ReactorBase.h, Cantera/src/zeroD/Reservoir.h, + Cantera/src/zeroD/Wall.cpp, Cantera/src/zeroD/Wall.h, + Cantera/src/zeroD/flowControllers.h, config/.cvsignore, + config/Cantera.README, config/config.guess, config/config.h.in, + config/config.sub, config/configure, config/configure.in, + config/install-sh, data/README, data/inputs/.cvsignore, + data/inputs/air.inp, data/inputs/air.xml, data/inputs/argon.inp, + data/inputs/argon.xml, data/inputs/elements.xml, + data/inputs/gases.xml, data/inputs/Makefile.in, + data/inputs/gri30.inp, data/inputs/gri30.xml, + data/inputs/gri30mod.inp, data/inputs/grinc.inp, + data/inputs/h2o2.inp, data/inputs/h2o2.xml, + data/inputs/h2o2_noch.inp, data/inputs/mkxml, + data/inputs/silane.inp, data/inputs/silane.xml, + data/thermo/nasathermo.dat, data/transport/gri30_tran.dat, + examples/.cvsignore, examples/Makefile.in, + examples/cxx/.cvsignore, examples/cxx/Makefile.in, + examples/cxx/equil_example1.cpp, examples/cxx/example_utils.h, + examples/cxx/examples.cpp, examples/cxx/examples.dsp, + examples/cxx/kinetics_example1.cpp, + examples/cxx/kinetics_example2.cpp, + examples/cxx/rxnpath_example1.cpp, + examples/cxx/transport_example1.cpp, + examples/cxx/transport_example2.cpp, ext/.cvsignore, + ext/Makefile.in, ext/blas/.cvsignore, ext/blas/dasum.f, + ext/blas/daxpy.f, ext/blas/dcabs1.f, ext/blas/dcopy.f, + ext/blas/ddot.f, ext/blas/dgbmv.f, ext/blas/dgemm.f, + ext/blas/dgemv.f, ext/blas/dger.f, ext/blas/dnrm2.f, + ext/blas/drot.f, ext/blas/drotg.f, ext/blas/drotm.f, + ext/blas/drotmg.f, ext/blas/dsbmv.f, ext/blas/dscal.f, + ext/blas/dsdot.f, ext/blas/dspmv.f, ext/blas/dspr.f, + ext/blas/dspr2.f, ext/blas/dswap.f, ext/blas/dsymm.f, + ext/blas/dsymv.f, ext/blas/dsyr.f, ext/blas/dsyr2.f, + ext/blas/dsyr2k.f, ext/blas/dsyrk.f, ext/blas/dtbmv.f, + ext/blas/dtbsv.f, ext/blas/dtpmv.f, ext/blas/dtpsv.f, + ext/blas/dtrmm.f, ext/blas/dtrmv.f, ext/blas/Makefile.in, + ext/blas/dtrsm.f, ext/blas/dtrsv.f, ext/blas/dzasum.f, + ext/blas/dznrm2.f, ext/blas/icamax.f, ext/blas/idamax.f, + ext/blas/isamax.f, ext/blas/izamax.f, ext/blas/lsame.f, + ext/blas/xerbla.f, ext/cvode/.cvsignore, ext/cvode/Makefile.in, + ext/cvode/include/band.h, ext/cvode/include/cvband.h, + ext/cvode/include/cvbandpre.h, ext/cvode/include/cvdense.h, + ext/cvode/include/cvdiag.h, ext/cvode/include/cvode.h, + ext/cvode/include/cvspgmr.h, ext/cvode/include/dense.h, + ext/cvode/include/iterativ.h, ext/cvode/include/llnlmath.h, + ext/cvode/include/llnltyps.h, ext/cvode/include/nvector.h, + ext/cvode/include/spgmr.h, ext/cvode/source/band.c, + ext/cvode/source/cvband.c, ext/cvode/source/cvbandpre.c, + ext/cvode/source/cvdense.c, ext/cvode/source/cvdiag.c, + ext/cvode/source/cvode.c, ext/cvode/source/cvspgmr.c, + ext/cvode/source/dense.c, ext/cvode/source/iterativ.c, + ext/cvode/source/llnlmath.c, ext/cvode/source/nvector.c, + ext/cvode/source/spgmr.c, ext/lapack/.cvsignore, + ext/lapack/Makefile.in, ext/lapack/dbdsqr.f, ext/lapack/dgbsv.f, + ext/lapack/dgbtf2.f, ext/lapack/dgbtrf.f, ext/lapack/dgbtrs.f, + ext/lapack/dgebd2.f, ext/lapack/dgebrd.f, ext/lapack/dgelq2.f, + ext/lapack/dgelqf.f, ext/lapack/dgelss.f, ext/lapack/dgeqr2.f, + ext/lapack/dgeqrf.f, ext/lapack/dgetf2.f, ext/lapack/dgetrf.f, + ext/lapack/dgetri.f, ext/lapack/dgetrs.f, ext/lapack/dlabad.f, + ext/lapack/dlabrd.f, ext/lapack/dlacpy.f, ext/lapack/dlamch.f, + ext/lapack/dlange.f, ext/lapack/dlapy2.f, ext/lapack/dlarf.f, + ext/lapack/dlarfb.f, ext/lapack/dlarfg.f, ext/lapack/dlarft.f, + ext/lapack/dlartg.f, ext/lapack/dlas2.f, ext/lapack/dlascl.f, + ext/lapack/dlaset.f, ext/lapack/dlasq1.f, ext/lapack/dlasq2.f, + ext/lapack/dlasq3.f, ext/lapack/dlasq4.f, ext/lapack/dlasr.f, + ext/lapack/dlasrt.f, ext/lapack/dlassq.f, ext/lapack/dlasv2.f, + ext/lapack/dlaswp.f, ext/lapack/dorg2r.f, ext/lapack/dorgbr.f, + ext/lapack/dorgl2.f, ext/lapack/dorglq.f, ext/lapack/dorgqr.f, + ext/lapack/dorm2r.f, ext/lapack/dormbr.f, ext/lapack/dorml2.f, + ext/lapack/dormlq.f, ext/lapack/dormqr.f, ext/lapack/drscl.f, + ext/lapack/ilaenv.f, ext/lapack/lsame.f, ext/lapack/xerbla.f, + ext/math/.cvsignore, ext/math/cblas.h, ext/math/daux.f, + ext/math/Makefile.in, ext/math/ddaspk.f, ext/math/dgbefa.f, + ext/math/dgbsl.f, ext/math/dgefa.f, ext/math/dgesl.f, + ext/math/dp1vlu.f, ext/math/dpcoef.f, ext/math/dpolft.f, + ext/math/fdump.f, ext/math/gmres.h, ext/math/idamax.f, + ext/math/j4save.f, ext/math/mach.cpp, ext/math/mkl_cblas.h, + ext/math/pcoef.f, ext/math/polfit.f, ext/math/pvalue.f, + ext/math/xercnt.f, ext/math/xerhlt.f, ext/math/xermsg.f, + ext/math/xerprn.f, ext/math/xersve.f, ext/math/xgetua.f, + ext/recipes/.cvsignore, ext/recipes/Makefile.in, + ext/recipes/simp1.f, ext/recipes/simp2.f, ext/recipes/simp3.f, + ext/recipes/simplx.f, ext/recipes/splie2.f, ext/recipes/splin2.f, + ext/recipes/spline.f, ext/recipes/splint.f, ext/tpx/.cvsignore, + ext/tpx/.depends, ext/tpx/CFluid.cpp, ext/tpx/CFluid.h, + ext/tpx/CGas.cpp, ext/tpx/CLK.cpp, ext/tpx/CLK.h, + ext/tpx/HFC134a.cpp, ext/tpx/HFC134a.h, ext/tpx/Hydrogen.cpp, + ext/tpx/Hydrogen.h, ext/tpx/Makefile.in, ext/tpx/Methane.cpp, + ext/tpx/Methane.h, ext/tpx/Nitrogen.cpp, ext/tpx/Nitrogen.h, + ext/tpx/Oxygen.cpp, ext/tpx/Oxygen.h, ext/tpx/ck_gas.cpp, + ext/tpx/ck_gas.h, ext/tpx/ideal.cpp, ext/tpx/lk.cpp, + ext/tpx/lk.h, ext/tpx/lkw.cpp, ext/tpx/lkw.h, ext/tpx/mix.h, + ext/tpx/Sub.cpp, ext/tpx/Sub.h, ext/tpx/Water.cpp, + ext/tpx/Water.h, ext/tpx/subs.h, ext/tpx/utils.cpp, + ext/tpx/utils.h, include/Cantera.h, include/IdealGasMix.h, + include/README, include/config.h, include/core.h, include/ctml.h, + include/equilibrium.h, include/ftn_defs.h, include/integrators.h, + include/kinetics.h, include/numerics.h, include/onedim.h, + include/surface.h, include/transport.h, + include/fortran/ctfdevmod.f, include/fortran/ctkineticsmod.f, + include/fortran/ctmixturemod.f, include/fortran/ctmod.f, + include/fortran/ctreactormod.f, include/fortran/ctthermomod.f, + include/fortran/cttransportmod.f, include/fortran/ctutilsmod.f, + lib/README, test_problems/.cvsignore, test_problems/Makefile.in, + test_problems/cxx_ex/.cvsignore, + test_problems/cxx_ex/eq1_blessed.csv, + test_problems/cxx_ex/eq1_blessed.dat, + test_problems/cxx_ex/gri30.inp, test_problems/cxx_ex/gri30.xml, + test_problems/cxx_ex/gri30_tran.dat, + test_problems/cxx_ex/gri30mod.inp, + test_problems/cxx_ex/Makefile.in, + test_problems/cxx_ex/kin1_blessed.csv, + test_problems/cxx_ex/kin2_blessed.csv, + test_problems/cxx_ex/runtest, test_problems/cxx_ex/silane.inp, + test_problems/cxx_ex/silane.xml, + test_problems/cxx_ex/tr1_blessed.csv, + test_problems/cxx_ex/tr2_blessed.csv, + test_problems/silane_equil/.cvsignore, + test_problems/silane_equil/Makefile.in, + test_problems/silane_equil/output_blessed.txt, + test_problems/silane_equil/runtest, + test_problems/silane_equil/silane.xml, + test_problems/silane_equil/silane_equil.cpp, tools/.cvsignore, + tools/Makefile.in, tools/export, tools/bin/ctupdate.py, + tools/bin/finish_install.py, tools/src/.cvsignore, + tools/src/Makefile.in, tools/src/ck2ctml.cpp, + tools/src/ck2ctml.dsp, tools/src/ctlibsample.mak.in, + tools/src/ctsetup.cpp, tools/src/ctsetup.in, tools/src/ctwin, + tools/src/makedsp.cpp, tools/src/newdsp.cpp, tools/src/proto.dsp, + tools/src/protocvf.dsp, tools/src/protocxx.cpp, + tools/src/protocxx.dsp, tools/src/sample.mak.in, + tools/src/sample_f90.mak.in, tools/src/validate.cpp, + tools/templates/f77/demo.f, tools/templates/f77/demo_ftnlib.cpp, + tools/templates/f77/sample.mak.in, tools/testtools/.cvsignore, + tools/testtools/Makefile.in, tools/testtools/csvdiff.cpp, + tools/testtools/mdp_allo.cpp, tools/testtools/mdp_allo.h, + tools/testtools/tok_input_util.cpp, + tools/testtools/tok_input_util.h: Initial import. + +2003-04-14 10:57 dggoodwin + + * .cvsignore, INSTALLING, License.rtf, License.txt, Makefile.in, + README, config.h, config.h.in, configure, apps/README.txt, + apps/MixMaster/.cvsignore, apps/MixMaster/CompositionFrame.py, + apps/MixMaster/ControlPanel.py, apps/MixMaster/DataFrame.py, + apps/MixMaster/DataGraph.py, apps/MixMaster/Edit.py, + apps/MixMaster/ElementFrame.py, apps/MixMaster/GraphFrame.py, + apps/MixMaster/__init__.py, apps/MixMaster/config.py, + apps/MixMaster/flowpanel.py, Cantera/.cvsignore, + Cantera/Makefile.in, Cantera/clib/src/.cvsignore, + Cantera/clib/src/Cabinet.h, Cantera/clib/src/Makefile.in, + Cantera/clib/src/Storage.cpp, Cantera/clib/src/Storage.h, + Cantera/clib/src/clib_defs.h, Cantera/clib/src/ct.cpp, + Cantera/clib/src/ct.h, Cantera/clib/src/ctbdry.cpp, + Cantera/clib/src/ctbdry.h, Cantera/clib/src/ctfunc.cpp, + Cantera/clib/src/ctfunc.h, Cantera/clib/src/ctnum.cpp, + Cantera/clib/src/ctnum.h, Cantera/clib/src/ctreactor.cpp, + Cantera/clib/src/ctreactor.h, Cantera/clib/src/ctrpath.cpp, + Cantera/clib/src/ctrpath.h, Cantera/clib/src/ctstagn.cpp, + Cantera/clib/src/ctstagn.h, Cantera/clib/src/ctsurf.cpp, + Cantera/clib/src/ctsurf.h, Cantera/clib/src/ctxml.cpp, + Cantera/clib/src/ctxml.h, Cantera/cxx/README, Cantera/lib/README, + Cantera/matlab/Makefile.in, Cantera/matlab/setup_matlab.py, + Cantera/matlab/cantera/Contents.m, + Cantera/matlab/cantera/GRI30.m, + Cantera/matlab/cantera/IdealGasMix.m, + Cantera/matlab/cantera/MassFlowController.m, + Cantera/matlab/cantera/Reservoir.m, + Cantera/matlab/cantera/Valve.m, Cantera/matlab/cantera/adddir.m, + Cantera/matlab/cantera/air.m, Cantera/matlab/cantera/build.m, + Cantera/matlab/cantera/buildux.m, + Cantera/matlab/cantera/buildwin.m, + Cantera/matlab/cantera/ck2ctml.m, Cantera/matlab/cantera/conhp.m, + Cantera/matlab/cantera/constants.m, + Cantera/matlab/cantera/conuv.m, + Cantera/matlab/cantera/gasconstant.m, + Cantera/matlab/cantera/geterr.m, + Cantera/matlab/cantera/mexopts.sh, + Cantera/matlab/cantera/oneatm.m, + Cantera/matlab/cantera/reactor_ode.m, + Cantera/matlab/cantera/@FlowDevice/FlowDevice.m, + Cantera/matlab/cantera/@FlowDevice/clear.m, + Cantera/matlab/cantera/@FlowDevice/install.m, + Cantera/matlab/cantera/@FlowDevice/massFlowRate.m, + Cantera/matlab/cantera/@FlowDevice/setMassFlowRate.m, + Cantera/matlab/cantera/@FlowDevice/setValveCoeff.m, + Cantera/matlab/cantera/@FlowDevice/private/flowdevicemethods.m, + Cantera/matlab/cantera/@Kinetics/Kinetics.m, + Cantera/matlab/cantera/@Kinetics/clear.m, + Cantera/matlab/cantera/@Kinetics/creationRates.m, + Cantera/matlab/cantera/@Kinetics/destructionRates.m, + Cantera/matlab/cantera/@Kinetics/destruction_rates.m, + Cantera/matlab/cantera/@Kinetics/equil_Kc.m, + Cantera/matlab/cantera/@Kinetics/hndl.m, + Cantera/matlab/cantera/@Kinetics/isReversible.m, + Cantera/matlab/cantera/@Kinetics/kinetics_hndl.m, + Cantera/matlab/cantera/@Kinetics/multiplier.m, + Cantera/matlab/cantera/@Kinetics/nReactions.m, + Cantera/matlab/cantera/@Kinetics/nTotalSpecies.m, + Cantera/matlab/cantera/@Kinetics/netProdRates.m, + Cantera/matlab/cantera/@Kinetics/reactionEqn.m, + Cantera/matlab/cantera/@Kinetics/rop.m, + Cantera/matlab/cantera/@Kinetics/rop_f.m, + Cantera/matlab/cantera/@Kinetics/rop_net.m, + Cantera/matlab/cantera/@Kinetics/rop_r.m, + Cantera/matlab/cantera/@Kinetics/rxnEqs.m, + Cantera/matlab/cantera/@Kinetics/setMultiplier.m, + Cantera/matlab/cantera/@Kinetics/stoich_net.m, + Cantera/matlab/cantera/@Kinetics/stoich_p.m, + Cantera/matlab/cantera/@Kinetics/stoich_r.m, + Cantera/matlab/cantera/@Kinetics/ydot.m, + Cantera/matlab/cantera/@Kinetics/private/delkinetics.cpp, + Cantera/matlab/cantera/@Kinetics/private/isrev.cpp, + Cantera/matlab/cantera/@Kinetics/private/kin_get.cpp, + Cantera/matlab/cantera/@Kinetics/private/kin_set.cpp, + Cantera/matlab/cantera/@Kinetics/private/kinetics_get.m, + Cantera/matlab/cantera/@Kinetics/private/kinetics_set.m, + Cantera/matlab/cantera/@Kinetics/private/newkinetics.cpp, + Cantera/matlab/cantera/@Kinetics/private/production.cpp, + Cantera/matlab/cantera/@Kinetics/private/pstoich.cpp, + Cantera/matlab/cantera/@Kinetics/private/rop.cpp, + Cantera/matlab/cantera/@Kinetics/private/rstoich.cpp, + Cantera/matlab/cantera/@Kinetics/private/rxnstring.cpp, + Cantera/matlab/cantera/@Reactor/Reactor.m, + Cantera/matlab/cantera/@Reactor/advance.m, + Cantera/matlab/cantera/@Reactor/clear.m, + Cantera/matlab/cantera/@Reactor/density.m, + Cantera/matlab/cantera/@Reactor/enthalpy_mass.m, + Cantera/matlab/cantera/@Reactor/hndl.m, + Cantera/matlab/cantera/@Reactor/insert.m, + Cantera/matlab/cantera/@Reactor/intEnergy_mass.m, + Cantera/matlab/cantera/@Reactor/mass.m, + Cantera/matlab/cantera/@Reactor/massFraction.m, + Cantera/matlab/cantera/@Reactor/massFractions.m, + Cantera/matlab/cantera/@Reactor/pressure.m, + Cantera/matlab/cantera/@Reactor/reactor_hndl.m, + Cantera/matlab/cantera/@Reactor/setEnergy.m, + Cantera/matlab/cantera/@Reactor/setInitialTime.m, + Cantera/matlab/cantera/@Reactor/setInitialVolume.m, + Cantera/matlab/cantera/@Reactor/setKineticsMgr.m, + Cantera/matlab/cantera/@Reactor/setThermoMgr.m, + Cantera/matlab/cantera/@Reactor/step.m, + Cantera/matlab/cantera/@Reactor/temperature.m, + Cantera/matlab/cantera/@Reactor/time.m, + Cantera/matlab/cantera/@Reactor/volume.m, + Cantera/matlab/cantera/@Reactor/private/reactormethods.cpp, + Cantera/matlab/cantera/@Reactor/private/reactormethods.m, + 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data/inputs/argon.xml, data/inputs/elements.xml, + data/inputs/gases.xml, data/inputs/Makefile.in, + data/inputs/gri30.inp, data/inputs/gri30.xml, + data/inputs/gri30mod.inp, data/inputs/grinc.inp, + data/inputs/h2o2.inp, data/inputs/h2o2.xml, + data/inputs/h2o2_noch.inp, data/inputs/mkxml, + data/inputs/silane.inp, data/inputs/silane.xml, + data/thermo/nasathermo.dat, data/transport/gri30_tran.dat, + examples/.cvsignore, examples/Makefile.in, + examples/cxx/.cvsignore, examples/cxx/Makefile.in, + examples/cxx/equil_example1.cpp, examples/cxx/example_utils.h, + examples/cxx/examples.cpp, examples/cxx/examples.dsp, + examples/cxx/kinetics_example1.cpp, + examples/cxx/kinetics_example2.cpp, + examples/cxx/rxnpath_example1.cpp, + examples/cxx/transport_example1.cpp, + examples/cxx/transport_example2.cpp, ext/.cvsignore, + ext/Makefile.in, ext/blas/.cvsignore, ext/blas/dasum.f, + ext/blas/daxpy.f, ext/blas/dcabs1.f, ext/blas/dcopy.f, + ext/blas/ddot.f, ext/blas/dgbmv.f, ext/blas/dgemm.f, + ext/blas/dgemv.f, ext/blas/dger.f, ext/blas/dnrm2.f, + ext/blas/drot.f, ext/blas/drotg.f, ext/blas/drotm.f, + ext/blas/drotmg.f, ext/blas/dsbmv.f, ext/blas/dscal.f, + ext/blas/dsdot.f, ext/blas/dspmv.f, ext/blas/dspr.f, + ext/blas/dspr2.f, ext/blas/dswap.f, ext/blas/dsymm.f, + ext/blas/dsymv.f, ext/blas/dsyr.f, ext/blas/dsyr2.f, + ext/blas/dsyr2k.f, ext/blas/dsyrk.f, ext/blas/dtbmv.f, + ext/blas/dtbsv.f, ext/blas/dtpmv.f, ext/blas/dtpsv.f, + ext/blas/dtrmm.f, ext/blas/dtrmv.f, ext/blas/Makefile.in, + ext/blas/dtrsm.f, ext/blas/dtrsv.f, ext/blas/dzasum.f, + ext/blas/dznrm2.f, ext/blas/icamax.f, ext/blas/idamax.f, + ext/blas/isamax.f, ext/blas/izamax.f, ext/blas/lsame.f, + ext/blas/xerbla.f, ext/cvode/.cvsignore, ext/cvode/Makefile.in, + ext/cvode/include/band.h, ext/cvode/include/cvband.h, + ext/cvode/include/cvbandpre.h, ext/cvode/include/cvdense.h, + ext/cvode/include/cvdiag.h, ext/cvode/include/cvode.h, + ext/cvode/include/cvspgmr.h, ext/cvode/include/dense.h, + ext/cvode/include/iterativ.h, ext/cvode/include/llnlmath.h, + ext/cvode/include/llnltyps.h, ext/cvode/include/nvector.h, + ext/cvode/include/spgmr.h, ext/cvode/source/band.c, + ext/cvode/source/cvband.c, ext/cvode/source/cvbandpre.c, + ext/cvode/source/cvdense.c, ext/cvode/source/cvdiag.c, + ext/cvode/source/cvode.c, ext/cvode/source/cvspgmr.c, + ext/cvode/source/dense.c, ext/cvode/source/iterativ.c, + ext/cvode/source/llnlmath.c, ext/cvode/source/nvector.c, + ext/cvode/source/spgmr.c, ext/lapack/.cvsignore, + ext/lapack/Makefile.in, ext/lapack/dbdsqr.f, ext/lapack/dgbsv.f, + ext/lapack/dgbtf2.f, ext/lapack/dgbtrf.f, ext/lapack/dgbtrs.f, + ext/lapack/dgebd2.f, ext/lapack/dgebrd.f, ext/lapack/dgelq2.f, + ext/lapack/dgelqf.f, ext/lapack/dgelss.f, ext/lapack/dgeqr2.f, + ext/lapack/dgeqrf.f, ext/lapack/dgetf2.f, ext/lapack/dgetrf.f, + ext/lapack/dgetri.f, ext/lapack/dgetrs.f, ext/lapack/dlabad.f, + ext/lapack/dlabrd.f, ext/lapack/dlacpy.f, ext/lapack/dlamch.f, + ext/lapack/dlange.f, ext/lapack/dlapy2.f, ext/lapack/dlarf.f, + ext/lapack/dlarfb.f, ext/lapack/dlarfg.f, ext/lapack/dlarft.f, + ext/lapack/dlartg.f, ext/lapack/dlas2.f, ext/lapack/dlascl.f, + ext/lapack/dlaset.f, ext/lapack/dlasq1.f, ext/lapack/dlasq2.f, + ext/lapack/dlasq3.f, ext/lapack/dlasq4.f, ext/lapack/dlasr.f, + ext/lapack/dlasrt.f, ext/lapack/dlassq.f, ext/lapack/dlasv2.f, + ext/lapack/dlaswp.f, ext/lapack/dorg2r.f, ext/lapack/dorgbr.f, + ext/lapack/dorgl2.f, ext/lapack/dorglq.f, ext/lapack/dorgqr.f, + ext/lapack/dorm2r.f, ext/lapack/dormbr.f, ext/lapack/dorml2.f, + ext/lapack/dormlq.f, ext/lapack/dormqr.f, ext/lapack/drscl.f, + ext/lapack/ilaenv.f, ext/lapack/lsame.f, ext/lapack/xerbla.f, + ext/math/.cvsignore, ext/math/cblas.h, ext/math/daux.f, + ext/math/Makefile.in, ext/math/ddaspk.f, ext/math/dgbefa.f, + ext/math/dgbsl.f, ext/math/dgefa.f, ext/math/dgesl.f, + ext/math/dp1vlu.f, ext/math/dpcoef.f, ext/math/dpolft.f, + ext/math/fdump.f, ext/math/gmres.h, ext/math/idamax.f, + ext/math/j4save.f, ext/math/mach.cpp, ext/math/mkl_cblas.h, + ext/math/pcoef.f, ext/math/polfit.f, ext/math/pvalue.f, + ext/math/xercnt.f, ext/math/xerhlt.f, ext/math/xermsg.f, + ext/math/xerprn.f, ext/math/xersve.f, ext/math/xgetua.f, + ext/recipes/.cvsignore, ext/recipes/Makefile.in, + ext/recipes/simp1.f, ext/recipes/simp2.f, ext/recipes/simp3.f, + ext/recipes/simplx.f, ext/recipes/splie2.f, ext/recipes/splin2.f, + ext/recipes/spline.f, ext/recipes/splint.f, ext/tpx/.cvsignore, + ext/tpx/.depends, ext/tpx/CFluid.cpp, ext/tpx/CFluid.h, + ext/tpx/CGas.cpp, ext/tpx/CLK.cpp, ext/tpx/CLK.h, + ext/tpx/HFC134a.cpp, ext/tpx/HFC134a.h, ext/tpx/Hydrogen.cpp, + ext/tpx/Hydrogen.h, ext/tpx/Makefile.in, ext/tpx/Methane.cpp, + ext/tpx/Methane.h, ext/tpx/Nitrogen.cpp, ext/tpx/Nitrogen.h, + ext/tpx/Oxygen.cpp, ext/tpx/Oxygen.h, ext/tpx/ck_gas.cpp, + ext/tpx/ck_gas.h, ext/tpx/ideal.cpp, ext/tpx/lk.cpp, + ext/tpx/lk.h, ext/tpx/lkw.cpp, ext/tpx/lkw.h, ext/tpx/mix.h, + ext/tpx/Sub.cpp, ext/tpx/Sub.h, ext/tpx/Water.cpp, + ext/tpx/Water.h, ext/tpx/subs.h, ext/tpx/utils.cpp, + ext/tpx/utils.h, include/Cantera.h, include/IdealGasMix.h, + include/README, include/config.h, include/core.h, include/ctml.h, + include/equilibrium.h, include/ftn_defs.h, include/integrators.h, + include/kinetics.h, include/numerics.h, include/onedim.h, + include/surface.h, include/transport.h, + include/fortran/ctfdevmod.f, include/fortran/ctkineticsmod.f, + include/fortran/ctmixturemod.f, include/fortran/ctmod.f, + include/fortran/ctreactormod.f, include/fortran/ctthermomod.f, + include/fortran/cttransportmod.f, include/fortran/ctutilsmod.f, + lib/README, test_problems/.cvsignore, test_problems/Makefile.in, + test_problems/cxx_ex/.cvsignore, + test_problems/cxx_ex/eq1_blessed.csv, + test_problems/cxx_ex/eq1_blessed.dat, + test_problems/cxx_ex/gri30.inp, test_problems/cxx_ex/gri30.xml, + test_problems/cxx_ex/gri30_tran.dat, + test_problems/cxx_ex/gri30mod.inp, + test_problems/cxx_ex/Makefile.in, + test_problems/cxx_ex/kin1_blessed.csv, + test_problems/cxx_ex/kin2_blessed.csv, + test_problems/cxx_ex/runtest, test_problems/cxx_ex/silane.inp, + test_problems/cxx_ex/silane.xml, + test_problems/cxx_ex/tr1_blessed.csv, + test_problems/cxx_ex/tr2_blessed.csv, + test_problems/silane_equil/.cvsignore, + test_problems/silane_equil/Makefile.in, + test_problems/silane_equil/output_blessed.txt, + test_problems/silane_equil/runtest, + test_problems/silane_equil/silane.xml, + test_problems/silane_equil/silane_equil.cpp, tools/.cvsignore, + tools/Makefile.in, tools/export, tools/bin/ctupdate.py, + tools/bin/finish_install.py, tools/src/.cvsignore, + tools/src/Makefile.in, tools/src/ck2ctml.cpp, + tools/src/ck2ctml.dsp, tools/src/ctlibsample.mak.in, + tools/src/ctsetup.cpp, tools/src/ctsetup.in, tools/src/ctwin, + tools/src/makedsp.cpp, tools/src/newdsp.cpp, tools/src/proto.dsp, + tools/src/protocvf.dsp, tools/src/protocxx.cpp, + tools/src/protocxx.dsp, tools/src/sample.mak.in, + tools/src/sample_f90.mak.in, tools/src/validate.cpp, + tools/templates/f77/demo.f, tools/templates/f77/demo_ftnlib.cpp, + tools/templates/f77/sample.mak.in, tools/testtools/.cvsignore, + tools/testtools/Makefile.in, tools/testtools/csvdiff.cpp, + tools/testtools/mdp_allo.cpp, tools/testtools/mdp_allo.h, + tools/testtools/tok_input_util.cpp, + tools/testtools/tok_input_util.h: Initial revision + +2003-04-14 10:11 root + + * CVSROOT/: checkoutlist, commitinfo, config, cvswrappers, + editinfo, loginfo, modules, notify, rcsinfo, taginfo, verifymsg: + initial checkin + diff --git a/Makefile.am b/Makefile.am index 9509f8fd0..2fe27b800 100644 --- a/Makefile.am +++ b/Makefile.am @@ -1,11 +1,11 @@ include $(top_srcdir)/doxygen/aminclude.am # Build in these directories: -SUBDIRS = Cantera tools test_problems -SUBDIRS += doxygen examples +SUBDIRS = ext src test_problems +SUBDIRS += doxygen # Distribute these directories: -DISTDIRS = Cantera examples +DISTDIRS = src # generated documentation will be included in distributed archive EXTRA_DIST = bootstrap $(DX_CONFIG) @@ -15,3 +15,6 @@ EXTRA_DIST += AUTHORS README pkgconfigdir = $(libdir)/pkgconfig pkgconfig_DATA = cantera.pc +#all: +# @echo copying config.h +# cp -p config.h $(top_builddir)/include/cantera/base \ No newline at end of file diff --git a/NEWS b/NEWS index 19e278aa7..48fccdb86 100644 --- a/NEWS +++ b/NEWS @@ -1 +1 @@ -11/10/11 cantera 1.8.0 development begins on autotools chain \ No newline at end of file +11/10/11 cantera 2.0.0 development begins on autotools chain \ No newline at end of file diff --git a/cantera.pc.in b/cantera.pc.in new file mode 100644 index 000000000..95b788f1e --- /dev/null +++ b/cantera.pc.in @@ -0,0 +1,22 @@ +# @PACKAGE_NAME@ installation details +prefix=@prefix@ +exec_prefix=@exec_prefix@ +libdir=@libdir@ +includedir=@includedir@ +# Fortran compilation and linking information +# Retrieve these using `pkg-config --variable=name @PACKAGE_NAME@` +fflags=-I@libdir@ +flibs=-L@libdir@ -lf@PACKAGE_NAME@ -l@PACKAGE_NAME@ + +Name: @PACKAGE_NAME@ +Description: @PACKAGE_DESCRIPTION@ +URL: @PACKAGE_URL@ +Requires: +Version: @VERSION@ + +LINK = -lctcxx -luser -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo +LINK += -lctnumerics -lctmath -ltpx -lctspectra -lconverters -lctbase -lcvode +LINK += -lctlapack -lctblas -lctf2c -lm -lstdc++ + +Libs: -L${libdir} ${LINK} +Cflags: -I${includedir} diff --git a/configure.ac b/configure.ac index 82475b7bf..4437d6e57 100644 --- a/configure.ac +++ b/configure.ac @@ -90,7 +90,6 @@ DX_INIT_DOXYGEN(cantera, doxygen/cantera.dox, docs) # Generate Output Files AC_OUTPUT(Makefile \ test_problems/Makefile \ - test_problems/f77test/Makefile \ test_problems/mixGasTransport/Makefile \ test_problems/ChemEquil_gri_matrix/Makefile \ test_problems/ChemEquil_gri_pairs/Makefile \ @@ -136,33 +135,26 @@ AC_OUTPUT(Makefile \ test_problems/cathermo/testWaterTP/Makefile \ test_problems/cathermo/VPissp/Makefile \ test_problems/cathermo/wtWater/Makefile \ + test_problems/PecosTransport/Makefile \ doxygen/Makefile \ - tools/Makefile \ - tools/testtools/Makefile \ - ext/Makefile \ - ext/tpx/Makefile \ - ext/cvode/Makefile \ - ext/f2c_blas/Makefile \ - ext/f2c_lapack/Makefile \ - ext/f2c_libs/Makefile \ - ext/f2c_math/Makefile \ - user/Makefile \ - fortran/Makefile \ - fortran/src/Makefile \ - cxx/Makefile \ - cxx/src/Makefile \ - src/Makefile \ - src/base/Makefile \ - src/converters/Makefile \ - src/kinetics/Makefile \ - src/numerics/Makefile src/oneD/Makefile \ - src/thermo/Makefile \ - src/transport/Makefile \ - src/spectra/Makefile src/zeroD/Makefile \ - src/equil/Makefile \ - examples/Makefile \ - build/Makefile \ - examples/cxx/Makefile \ + ext/Makefile \ + src/tpx/Makefile \ + ext/cvode/Makefile \ + ext/cvode/source/Makefile \ + ext/f2c_blas/Makefile \ + ext/f2c_lapack/Makefile \ + ext/f2c_libs/Makefile \ + ext/f2c_math/Makefile \ + src/fortran/Makefile \ + src/Makefile \ + src/base/Makefile \ + src/converters/Makefile \ + src/kinetics/Makefile \ + src/numerics/Makefile src/oneD/Makefile \ + src/thermo/Makefile \ + src/transport/Makefile \ + src/spectra/Makefile src/zeroD/Makefile \ + src/equil/Makefile \ cantera.pc) # skipped tests diff --git a/ext/Makefile.am b/ext/Makefile.am index d0aeba4f5..f92c577ad 100644 --- a/ext/Makefile.am +++ b/ext/Makefile.am @@ -1,2 +1,2 @@ -SUBDIRS = f2c_libs f2c_blas f2c_lapack f2c_math cvode tpx +SUBDIRS = f2c_libs f2c_blas f2c_lapack f2c_math cvode diff --git a/ext/cvode/Makefile.am b/ext/cvode/Makefile.am index 49208664e..a51aa8d34 100644 --- a/ext/cvode/Makefile.am +++ b/ext/cvode/Makefile.am @@ -1,32 +1 @@ -cc_sources = band.c cvband.c cvbandpre.c cvdense.c cvdiag.c \ - cvode.c cvspgmr.c dense.c iterativ.c llnlmath.c \ - nvector.c spgmr.c - -h_sources = band.h cvband.h cvbandpre.h cvdense.h cvdiag.h \ - cvode.h cvspgmr.h dense.h iterativ.h llnlmath.h \ - llnltyps.h nvector.h spgmr.h - -AM_CPPFLAGS = -I. -AM_CXXFLAGS = $(AM_CPPFLAGS) -AM_FCFLAGS = $(AM_CPPFLAGS) - -lib_LTLIBRARIES = $(top_builddir)/build/lib/libcvode.la -library_includedir = $(top_builddir)/build/include -library_include_HEADERS = $(h_sources) - -#----------------------- -# Cantera Converters C/C++ library -#----------------------- - -__top_builddir__build_lib_libcvode_la_LDFLAGS = $(all_libraries) -release $(GENERIC_RELEASE) -__top_builddir__build_lib_libcvode_la_SOURCES = $(fc_sources) $(cc_sources) - -__top_builddir__build_lib_libcvode_include_HEADERS = $(h_sources) -__top_builddir__build_lib_libcvode_includedir = $(prefix)/include - -CLEANFILES = *.o - -# header file accumulation -all: - @echo copying headers $< - cp -p *.h $(top_builddir)/build/include/ +SUBDIRS=source \ No newline at end of file diff --git a/ext/cvode/source/Makefile.am b/ext/cvode/source/Makefile.am new file mode 100644 index 000000000..31f71f080 --- /dev/null +++ b/ext/cvode/source/Makefile.am @@ -0,0 +1,24 @@ +cc_sources = band.c cvband.c cvbandpre.c cvdense.c cvdiag.c \ + cvode.c cvspgmr.c dense.c iterativ.c llnlmath.c \ + nvector.c spgmr.c + +h_sources = +AM_CPPFLAGS = -I../include +AM_CXXFLAGS = $(AM_CPPFLAGS) +AM_FCFLAGS = $(AM_CPPFLAGS) + +lib_LTLIBRARIES = $(top_builddir)/build/lib/libcvode.la +library_includedir = $(top_builddir)/include +library_include_HEADERS = $(h_sources) + +#----------------------- +# Cantera Converters C/C++ library +#----------------------- + +__top_builddir__build_lib_libcvode_la_LDFLAGS = $(all_libraries) -release $(GENERIC_RELEASE) +__top_builddir__build_lib_libcvode_la_SOURCES = $(fc_sources) $(cc_sources) + +__top_builddir__build_lib_libcvode_include_HEADERS = $(h_sources) +__top_builddir__build_lib_libcvode_includedir = $(prefix)/include + +CLEANFILES = *.o diff --git a/ext/f2c_blas/Makefile.am b/ext/f2c_blas/Makefile.am index 15aaa52c9..6c568dbb4 100644 --- a/ext/f2c_blas/Makefile.am +++ b/ext/f2c_blas/Makefile.am @@ -47,7 +47,7 @@ AM_CXXFLAGS = $(AM_CPPFLAGS) AM_FCFLAGS = $(AM_CPPFLAGS) lib_LTLIBRARIES = $(top_builddir)/build/lib/libctblas.la -library_includedir = $(top_builddir)/build/include +library_includedir = $(top_builddir)/include library_include_HEADERS = $(h_sources) #----------------------- @@ -64,6 +64,6 @@ __top_builddir__build_lib_libctblas_includedir = $(prefix)/include CLEANFILES = *.o # header file accumulation -all: - @echo copying headers $< - cp -p *.h $(top_builddir)/build/include/ +#all: +# @echo copying headers $< +# cp -p *.h $(top_builddir)/include/ diff --git a/ext/f2c_lapack/Makefile.am b/ext/f2c_lapack/Makefile.am index e3330e6c1..5eec7cb74 100644 --- a/ext/f2c_lapack/Makefile.am +++ b/ext/f2c_lapack/Makefile.am @@ -14,7 +14,7 @@ AM_CXXFLAGS = $(AM_CPPFLAGS) AM_FCFLAGS = $(AM_CPPFLAGS) lib_LTLIBRARIES = $(top_builddir)/build/lib/libctlapack.la -library_includedir = $(top_builddir)/build/include +library_includedir = $(top_builddir)/include library_include_HEADERS = $(h_sources) #----------------------- @@ -31,6 +31,6 @@ __top_builddir__build_lib_libctlapack_includedir = $(prefix)/include CLEANFILES = *.o # header file accumulation -all: - @echo copying headers $< - cp -p *.h $(top_builddir)/build/include/ +#all: +# @echo copying headers $< +# cp -p *.h $(top_builddir)/build/include/ diff --git a/ext/f2c_libs/Makefile.am b/ext/f2c_libs/Makefile.am index 717b494cf..34464c8d1 100644 --- a/ext/f2c_libs/Makefile.am +++ b/ext/f2c_libs/Makefile.am @@ -6,7 +6,7 @@ cc_sources = abort_.c c_log.c d_atn2.c dfe.c d_prod.c \ d_cnjg.c d_imag.c d_sign.c ef1asc_.c \ f77_aloc.c h_abs.c hl_lt.c i_dnnt.c \ i_sign.c lwrite.c r_asin.c \ - rewind.c rsfe.c r_tanh.c s_paus.c util.c \ + rewind.c rsfe.c r_tanh.c util.c \ z_cos.c backspac.c c_sin.c d_cos.c \ d_int.c d_sin.c ef1cmc_.c f77vers.c \ h_dim.c h_mod.c i_indx.c lbitbits.c \ @@ -17,15 +17,15 @@ cc_sources = abort_.c c_log.c d_atn2.c dfe.c d_prod.c \ lbitshft.c open.c pow_zi.c r_atn2.c \ r_imag.c r_sin.c s_cmp.c s_stop.c \ wrtfmt.c z_exp.c cabs.c d_abs.c d_dim.c \ - d_log.c d_sqrt.c erf_.c fmtlib.c h_indx.c\ + d_log.c d_sqrt.c fmtlib.c h_indx.c\ h_sign.c i_len.c l_ge.c pow_ci.c pow_zz.c\ r_cnjg.c r_int.c r_sinh.c s_copy.c sue.c \ - wsfe.c z_log.c c_cos.c d_acos.c derf_.c \ - d_mod.c d_tan.c erfc_.c \ + wsfe.c z_log.c c_cos.c d_acos.c \ + d_mod.c d_tan.c \ h_len.c i77vers.c ilnw.c l_gt.c pow_dd.c \ r_cos.c r_lg10.c rsli.c sfe.c \ system_.c wsle.c z_sin.c c_div.c d_asin.c\ - derfc_.c d_nint.c d_tanh.c err.c ftell_.c\ + d_nint.c d_tanh.c err.c ftell_.c\ hl_ge.c i_abs.c i_mod.c l_le.c pow_di.c \ r_cosh.c r_log.c rsne.c \ sig_die.c typesize.c wsne.c z_sqrt.c \ @@ -34,8 +34,6 @@ cc_sources = abort_.c c_log.c d_atn2.c dfe.c d_prod.c \ i_nint.c l_lt.c pow_hh.c r_abs.c rdfmt.c \ r_mod.c r_sqrt.c signal_.c uio.c xwsne.c -# arithchk.c getarg_.c iargc_.c - h_sources = f2c.h sysdep1.h fio.h fmt.h fp.h lio.h rawio.h AM_CPPFLAGS = -I. @@ -43,7 +41,7 @@ AM_CXXFLAGS = $(AM_CPPFLAGS) AM_FCFLAGS = $(AM_CPPFLAGS) lib_LTLIBRARIES = $(top_builddir)/build/lib/libctf2c.la -library_includedir = $(top_builddir)/build/include +library_includedir = $(top_builddir)/include library_include_HEADERS = $(h_sources) #----------------------- @@ -55,7 +53,7 @@ all: @echo copying headers $< cp -p sysdep1.h0 sysdep1.h cp -p signal1.h0 signal1.h - cp -p $(h_sources) $(top_builddir)/build/include/ + cp -p $(h_sources) $(top_builddir)/include/ __top_builddir__build_lib_libctf2c_la_LDFLAGS = $(all_libraries) -release $(GENERIC_RELEASE) __top_builddir__build_lib_libctf2c_la_SOURCES = $(cc_sources) $(h_sources) diff --git a/ext/f2c_math/Makefile.am b/ext/f2c_math/Makefile.am index 94a041f8a..72b8e6a11 100644 --- a/ext/f2c_math/Makefile.am +++ b/ext/f2c_math/Makefile.am @@ -22,14 +22,14 @@ xersve.c \ xgetua.c \ printstring.c -h_sources = cblas.h gmres.h mkl_cblas.h +h_sources = cblas.h gmres.h AM_CPPFLAGS = -I../f2c_libs AM_CXXFLAGS = $(AM_CPPFLAGS) AM_FCFLAGS = $(AM_CPPFLAGS) lib_LTLIBRARIES = $(top_builddir)/build/lib/libctmath.la -library_includedir = $(top_builddir)/build/include +library_includedir = $(top_builddir)/include library_include_HEADERS = $(h_sources) #----------------------- @@ -46,6 +46,6 @@ __top_builddir__build_lib_libctmath_includedir = $(prefix)/include CLEANFILES = *.o # header file accumulation -all: - @echo copying headers $< - cp -p *.h $(top_builddir)/build/include/ +#all: +# @echo copying headers $< +# cp -p *.h $(top_builddir)/build/include/ diff --git a/src/Makefile.am b/src/Makefile.am index 9e77467e2..378f2a4cc 100644 --- a/src/Makefile.am +++ b/src/Makefile.am @@ -1,6 +1,7 @@ # $Id: $ # will need to add python and matlab -SUBDIRS = base numerics converters thermo transport oneD zeroD kinetics spectra equil +SUBDIRS = base numerics converters thermo transport oneD zeroD kinetics spectra equil fortran tpx + diff --git a/src/base/Makefile.am b/src/base/Makefile.am index 02ee0b8ed..31081a94c 100644 --- a/src/base/Makefile.am +++ b/src/base/Makefile.am @@ -1,20 +1,16 @@ -h_sources = utilities.h ct_defs.h ctexceptions.h logger.h \ - ctml.h plots.h stringUtils.h xml.h \ - Array.h vec_functions.h global.h XML_Writer.h \ - FactoryBase.h clockWC.h PrintCtrl.h \ - LogPrintCtrl.h mdp_allo.h +h_sources = LogPrintCtrl.h -cc_sources = ct2ctml.cpp ctml.cpp misc.cpp plots.cpp \ + +cc_sources = ct2ctml.cpp ctml.cpp plots.cpp \ stringUtils.cpp xml.cpp clockWC.cpp \ PrintCtrl.cpp LogPrintCtrl.cpp mdp_allo.cpp \ checkFinite.cpp -AM_CPPFLAGS = -I$(top_builddir) +AM_CPPFLAGS = -I$(top_builddir) -I$(top_builddir)/include AM_CXXFLAGS = $(AM_CPPFLAGS) lib_LTLIBRARIES = $(top_builddir)/build/lib/libctbase.la library_includedir = $(top_builddir)/build/include -library_include_HEADERS = utilities.h otherincludedir = $(top_builddir)/build/include/cantera/kernel otherinclude_HEADERS = $(h_sources) @@ -30,8 +26,8 @@ __top_builddir__build_lib_libctbase_include_HEADERS = $(h_sources) __top_builddir__build_lib_libctbase_includedir = $(prefix)/include # header file accumulation -- only copy if file updated! -all: - @echo copying headers $< - cp -p *.h $(top_builddir)/build/include/ +#all: +# @echo copying headers $< +# cp -p *.h $(top_builddir)/build/include/ CLEANFILES = *.o diff --git a/src/converters/Makefile.am b/src/converters/Makefile.am index 490ea50d3..c51ab52a3 100644 --- a/src/converters/Makefile.am +++ b/src/converters/Makefile.am @@ -1,12 +1,9 @@ -h_sources = ck2ct.h CKParser.h CKReader.h Constituent.h Reaction.h \ - Species.h writelog.h ck2ctml.h ckr_defs.h ckr_utils.h \ - Element.h RxnSpecies.h thermoFunctions.h - -cc_sources = atomicWeightDB.cpp ck2ctml.cpp CKReader.cpp filter.cpp \ +h_sources = +cc_sources = atomicWeightDB.cpp CKReader.cpp \ Reaction.cpp thermoFunctions.cpp ck2ct.cpp CKParser.cpp \ ckr_utils.cpp NASA9Parser.cpp Species.cpp writelog.cpp -AM_CPPFLAGS = -I../base -I../../../ +AM_CPPFLAGS = -I$(top_builddir)/include AM_CXXFLAGS = $(AM_CPPFLAGS) lib_LTLIBRARIES = $(top_builddir)/build/lib/libconverters.la @@ -21,9 +18,3 @@ __top_builddir__build_lib_libconverters_la_SOURCES = $(cc_sources) $(h_sour __top_builddir__build_lib_libconverters_include_HEADERS = $(h_sources) __top_builddir__build_lib_libconverters_includedir = $(prefix)/include - - -# header file accumulation -all: - @echo copying headers $< - cp -p $(h_sources) $(top_builddir)/build/include/ diff --git a/src/equil/Makefile.am b/src/equil/Makefile.am index e20bd0a85..425cb22f3 100644 --- a/src/equil/Makefile.am +++ b/src/equil/Makefile.am @@ -1,16 +1,4 @@ -h_sources = ChemEquil.h PropertyCalculator.h vcs_internal.h \ - equil.h vcs_defs.h vcs_IntStarStar.h vcs_SpeciesProperties.h \ - MultiPhaseEquil.h vcs_DoubleStarStar.h vcs_MultiPhaseEquil.h vcs_species_thermo.h \ - MultiPhase.h vcs_Exception.h vcs_prob.h vcs_VolPhase.h \ - vcs_solve.h - -#ChemEquil.h MultiPhase.h MultiPhaseEquil.h equil.h \ - PropertyCalculator.h vcs_equilibrate.h \ - vcs_MultiPhaseEquil.h vcs_VolPhase.h vcs_DoubleStarStar.h \ - vcs_prob.h vcs_SpeciesProperties.h vcs_internal.h \ - vcs_species_thermo.h vcs_TP.h vcs_util.h vcs_VolPhase.h \ - vcs_MultiPhaseEquil.h - +h_sources = cc_sources = BasisOptimize.cpp vcs_Gibbs.cpp vcs_root1d.cpp \ ChemEquil.cpp vcs_rxnadj.cpp vcs_TP.cpp \ equilibrate.cpp vcs_IntStarStar.cpp vcs_setMolesLinProg.cpp \ @@ -21,18 +9,10 @@ cc_sources = BasisOptimize.cpp vcs_Gibbs.cpp vcs_root1d.cpp \ vcs_elem_rearrange.cpp vcs_prob.cpp vcs_inest.cpp \ vcs_equilibrate.cpp vcs_rearrange.cpp vcs_util.cpp \ vcs_Exception.cpp vcs_report.cpp vcs_VolPhase.cpp \ - vcs_linmaxc.cpp vcs_dbocls.c vcs_dbolsm.c vcs_dbols.c vcs_dvout.c \ + vcs_dbocls.c vcs_dbolsm.c vcs_dbols.c vcs_dvout.c \ vcs_ivout.c vcs_dmout.c vcs_xerror.c -#BasisOptimize.cpp ChemEquil.cpp MultiPhase.cpp \ - MultiPhaseEquil.cpp equilibrate.cpp vcs_equilibrate.cpp \ - vcs_MultiPhaseEquil.cpp vcs_VolPhase.cpp \ - vcs_DoubleStarStar.cpp vcs_prob.cpp \ - vcs_SpeciesProperties.cpp vcs_MultiPhaseEquil.cpp \ - vcs_species_thermo.cpp vcs_TP.cpp vcs_util.cpp \ - vcs_VolPhase.cpp - -AM_CPPFLAGS = -I$(top_builddir)/build/include +AM_CPPFLAGS = -I$(top_builddir)/include -I$(top_builddir)/ext/f2c_libs/ AM_CXXFLAGS = $(AM_CPPFLAGS) lib_LTLIBRARIES = $(top_builddir)/build/lib/libequil.la @@ -47,9 +27,3 @@ __top_builddir__build_lib_libequil_la_SOURCES = $(cc_sources) $(h_sources) __top_builddir__build_lib_libequil_include_HEADERS = $(h_sources) __top_builddir__build_lib_libequil_includedir = $(prefix)/include - - -# header file accumulation before install -all: - @echo copying headers $< - cp -p *.h $(top_builddir)/build/include/ diff --git a/src/fortran/Makefile.am b/src/fortran/Makefile.am new file mode 100644 index 000000000..4aee94d08 --- /dev/null +++ b/src/fortran/Makefile.am @@ -0,0 +1,34 @@ +cc_sources = fct.cpp fctxml.cpp + +fc_sources = fct_interface.f90 fctxml_interface.f90 cantera_xml.f90 cantera_thermo.f90 \ + cantera_kinetics.f90 cantera_transport.f90 cantera_iface.f90 \ + cantera_funcs.f90 cantera.f90 + +h_sources = + +INC = -I$(top_builddir)/include/ -I$(top_builddir)/src/ +AM_CPPFLAGS = $(INC) +AM_CXXFLAGS = $(AM_CPPFLAGS) +AM_FCFLAGS = $(AM_CPPFLAGS) + +LINK = -luser -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo +LINK += -lctnumerics -lctmath -ltpx -lctspectra -lconverters -lctbase -lcvode +LINK += -lctlapack -lctblas -lctf2c -lctcxx -lm -lctf2c -lstdc++ + +AM_LDFLAGS = -L$(top_builddir)/build/lib/ + +lib_LTLIBRARIES = $(top_builddir)/build/lib/libfct.la +library_includedir = $(top_builddir)/build/include +library_include_HEADERS = $(h_sources) + +#----------------------- +# Cantera Converters C/C++ library +#----------------------- + +__top_builddir__build_lib_libfct_la_LDFLAGS = $(all_libraries) -release $(GENERIC_RELEASE) +__top_builddir__build_lib_libfct_la_SOURCES = $(cc_sources) $(fc_sources) $(h_sources) + +__top_builddir__build_lib_libfct_include_HEADERS = $(h_sources) +__top_builddir__build_lib_libfct_includedir = $(prefix)/include + +CLEANFILES = *.o diff --git a/src/kinetics/Makefile.am b/src/kinetics/Makefile.am index f823ecdad..ea26c59d3 100644 --- a/src/kinetics/Makefile.am +++ b/src/kinetics/Makefile.am @@ -1,18 +1,11 @@ -h_sources = importKinetics.h GRI_30_Kinetics.h KineticsFactory.h \ - Kinetics.h GasKinetics.h \ - FalloffFactory.h ReactionStoichMgr.h reaction_defs.h \ - FalloffMgr.h ThirdBodyMgr.h RateCoeffMgr.h ReactionData.h \ - RxnRates.h Enhanced3BConc.h StoichManager.h solveSP.h \ - AqueousKinetics.h InterfaceKinetics.h ImplicitSurfChem.h \ - Group.h ReactionPath.h - +h_sources = cc_sources = importKinetics.cpp GRI_30_Kinetics.cpp KineticsFactory.cpp \ GasKinetics.cpp AqueousKinetics.cpp FalloffFactory.cpp \ ReactionStoichMgr.cpp Kinetics.cpp solveSP.cpp \ ReactionPath.cpp InterfaceKinetics.cpp ImplicitSurfChem.cpp \ Group.cpp -AM_CPPFLAGS = -I../numerics -I../thermo -I../base +AM_CPPFLAGS = -I$(top_builddir)/include AM_CXXFLAGS = $(AM_CPPFLAGS) lib_LTLIBRARIES = $(top_builddir)/build/lib/libkinetics.la @@ -27,9 +20,3 @@ __top_builddir__build_lib_libkinetics_la_SOURCES = $(cc_sources) $(h_source __top_builddir__build_lib_libkinetics_include_HEADERS = $(h_sources) __top_builddir__build_lib_libkinetics_includedir = $(prefix)/include - - -# header file accumulation -all: - @echo copying headers $< - cp -p $(h_sources) $(top_builddir)/build/include/ diff --git a/src/numerics/Makefile.am b/src/numerics/Makefile.am index 0fc1532a8..f15fae85d 100644 --- a/src/numerics/Makefile.am +++ b/src/numerics/Makefile.am @@ -1,13 +1,9 @@ -h_sources = DenseMatrix.h funcs.h ctlapack.h Func1.h \ - FuncEval.h polyfit.h BandMatrix.h Integrator.h \ - DAE_Solver.h ResidEval.h sort.h SquareMatrix.h \ - ResidJacEval.h NonlinearSolver.h - +h_sources = cc_sources = DenseMatrix.cpp funcs.cpp Func1.cpp ODE_integrators.cpp \ - BandMatrix.cpp DAE_solvers.cpp sort.cpp CVodeInt.cpp \ + BandMatrix.cpp DAE_solvers.cpp CVodeInt.cpp \ SquareMatrix.cpp ResidJacEval.cpp NonlinearSolver.cpp -AM_CPPFLAGS = -I$(top_builddir)/build/include/ -I$(top_builddir) +AM_CPPFLAGS = -I$(top_builddir)/include/ -I$(top_builddir) AM_CXXFLAGS = $(AM_CPPFLAGS) lib_LTLIBRARIES = $(top_builddir)/build/lib/libctnumerics.la @@ -22,9 +18,3 @@ __top_builddir__build_lib_libctnumerics_la_SOURCES = $(cc_sources) $(h_sour __top_builddir__build_lib_libctnumerics_include_HEADERS = $(h_sources) __top_builddir__build_lib_libctnumerics_includedir = $(prefix)/include - - -# header file accumulation -all: - @echo copying headers $< - cp -p *.h $(top_builddir)/build/include/ diff --git a/src/oneD/Makefile.am b/src/oneD/Makefile.am index 434745bfc..bf33b10d3 100644 --- a/src/oneD/Makefile.am +++ b/src/oneD/Makefile.am @@ -1,11 +1,8 @@ cc_sources = MultiJac.cpp MultiNewton.cpp newton_utils.cpp OneDim.cpp \ StFlow.cpp boundaries1D.cpp refine.cpp Sim1D.cpp Domain1D.cpp -h_sources = Inlet1D.h MultiJac.h Sim1D.h StFlow.h \ - Surf1D.h Domain1D.h MultiNewton.h OneDim.h \ - Resid1D.h Solid1D.h refine.h - -AM_CPPFLAGS = -I../base -I../thermo -I../kinetics -I../transport -I../numerics -I../../../ +h_sources = +AM_CPPFLAGS = -I$(top_builddir)/include AM_CXXFLAGS = $(AM_CPPFLAGS) -fPIC lib_LTLIBRARIES = $(top_builddir)/build/lib/liboneD.la @@ -20,9 +17,3 @@ __top_builddir__build_lib_liboneD_la_SOURCES = $(cc_sources) $(h_sources) __top_builddir__build_lib_liboneD_include_HEADERS = $(h_sources) __top_builddir__build_lib_liboneD_includedir = $(prefix)/include - - -# header file accumulation -all: - @echo copying headers $< - cp -p $(h_sources) $(top_builddir)/build/include/ diff --git a/src/spectra/Makefile.am b/src/spectra/Makefile.am index be7b721ac..ad0770d58 100644 --- a/src/spectra/Makefile.am +++ b/src/spectra/Makefile.am @@ -1,9 +1,7 @@ -h_sources = DiatomicMolecule.h LineBroadener.h Nuclei.h \ - rotor.h spectralUtilities.h - +h_sources = cc_sources = LineBroadener.cpp rotor.cpp spectralUtilities.cpp -AM_CPPFLAGS = -I../base +AM_CPPFLAGS = -I$(top_builddir)/include AM_CXXFLAGS = $(AM_CPPFLAGS) lib_LTLIBRARIES = $(top_builddir)/build/lib/libctspectra.la @@ -15,9 +13,3 @@ library_includedir = $(includedir) __top_builddir__build_lib_libctspectra_la_LDFLAGS = $(all_libraries) -release $(GENERIC_RELEASE) __top_builddir__build_lib_libctspectra_la_SOURCES = $(cc_sources) $(h_sources) - - -# header file accumulation -all: - @echo copying headers $< - cp -p $(h_sources) $(top_builddir)/build/include/ diff --git a/src/thermo/Makefile.am b/src/thermo/Makefile.am index c2e71a781..77d6d3c4e 100644 --- a/src/thermo/Makefile.am +++ b/src/thermo/Makefile.am @@ -1,33 +1,10 @@ -h_sources = State.h Elements.h Constituents.h Phase.h mix_defs.h \ - ThermoPhase.h IdealGasPhase.h ConstDensityThermo.h \ - SpeciesThermoFactory.h ThermoFactory.h \ - NasaPoly1.h NasaPoly2.h NasaThermo.h Nasa9Poly1.h \ - Nasa9PolyMultiTempRegion.h WaterPropsIAPWS.h \ - ShomateThermo.h ShomatePoly.h ConstCpPoly.h \ - SimpleThermo.h SpeciesThermoMgr.h \ - SpeciesThermoInterpType.h VPSSMgr_Water_ConstVol.h \ - GeneralSpeciesThermo.h Mu0Poly.h \ - speciesThermoTypes.h SpeciesThermo.h SurfPhase.h \ - EdgePhase.h IdealSolnGasVPSS.h MolalityVPSSTP.h \ - VPSSMgr.h VPSSMgrFactory.h VPSSMgr_General.h \ - VPSSMgr_IdealGas.h VPSSMgr_ConstVol.h PDSS_ConstVol.h \ - PDSS_IdealGas.h PDSS_SSVol.h DebyeHuckel.h \ - VPStandardStateTP.h PDSS_Water.h WaterProps.h \ - WaterPropsIAPWSphi.h VPSSMgr_Water_HKFT.h PDSS_HKFT.h \ - PDSS_IonsFromNeutral.h IonsFromNeutralVPSSTP.h \ - GibbsExcessVPSSTP.h LatticePhase.h IdealMolalSoln.h \ - PDSS.h HMWSoln.h WaterSSTP.h MetalSHEelectrons.h \ - IdealSolidSolnPhase.h StoichSubstanceSSTP.h \ - SingleSpeciesTP.h MineralEQ3.h PseudoBinaryVPSSTP.h \ - MargulesVPSSTP.h StoichSubstance.h electrolytes.h \ - PureFluidPhase.h LatticeSolidPhase.h - -cc_sources = State.cpp Elements.cpp Constituents.cpp Phase.cpp \ +h_sources = +cc_sources = Elements.cpp Phase.cpp \ ThermoPhase.cpp IdealGasPhase.cpp ConstDensityThermo.cpp \ SpeciesThermoFactory.cpp ConstCpPoly.cpp Nasa9Poly1.cpp \ Nasa9PolyMultiTempRegion.cpp PDSS_Water.cpp PDSS_HKFT.cpp \ Mu0Poly.cpp GeneralSpeciesThermo.cpp SurfPhase.cpp \ - ThermoFactory.cpp phasereport.cpp SpeciesThermoInterpType.cpp \ + ThermoFactory.cpp SpeciesThermoInterpType.cpp \ VPSSMgr.cpp VPSSMgrFactory.cpp VPSSMgr_General.cpp \ IdealSolnGasVPSS.cpp MolalityVPSSTP.cpp VPStandardStateTP.cpp \ VPSSMgr_IdealGas.cpp VPSSMgr_ConstVol.cpp PDSS_ConstVol.cpp \ @@ -43,7 +20,7 @@ cc_sources = State.cpp Elements.cpp Constituents.cpp Phase.cpp \ PseudoBinaryVPSSTP.cpp MargulesVPSSTP.cpp \ StoichSubstanceSSTP.cpp PureFluidPhase.cpp StoichSubstance.cpp -AM_CPPFLAGS = -I../base +AM_CPPFLAGS = -I$(top_builddir)/include AM_CXXFLAGS = $(AM_CPPFLAGS) lib_LTLIBRARIES = $(top_builddir)/build/lib/libthermo.la @@ -58,8 +35,3 @@ __top_builddir__build_lib_libthermo_la_SOURCES = $(cc_sources) $(h_sources) __top_builddir__build_lib_libthermo_include_HEADERS = $(h_sources) __top_builddir__build_lib_libthermo_includedir = $(prefix)/include - -# header file accumulation -all: - @echo copying headers $< - cp -p *.h $(top_builddir)/build/include/ diff --git a/src/tpx/Makefile.am b/src/tpx/Makefile.am index ab1a96b75..b9cda6d6e 100644 --- a/src/tpx/Makefile.am +++ b/src/tpx/Makefile.am @@ -1,10 +1,8 @@ -h_sources = Methane.h Nitrogen.h Oxygen.h Water.h Hydrogen.h RedlichKwong.h \ - CarbonDioxide.h Heptane.h lk.h Sub.h utils.h HFC134a.h - +h_sources = cc_sources = Methane.cpp Nitrogen.cpp Oxygen.cpp Water.cpp Hydrogen.cpp RedlichKwong.cpp \ CarbonDioxide.cpp Heptane.cpp lk.cpp Sub.cpp utils.cpp HFC134a.cpp -AM_CPPFLAGS = +AM_CPPFLAGS = -I$(top_builddir)/include AM_CXXFLAGS = $(AM_CPPFLAGS) lib_LTLIBRARIES = $(top_builddir)/build/lib/libtpx.la @@ -20,11 +18,3 @@ __top_builddir__build_lib_libtpx_la_SOURCES = $(cc_sources) $(h_sources) __top_builddir__build_lib_libtpx_include_HEADERS = $(h_sources) __top_builddir__build_lib_libtpx_includedir = $(prefix)/include - - -CLEANFILES = *.o - -# header file accumulation -all: - @echo copying headers $< - cp -p *.h $(top_builddir)/build/include/ diff --git a/src/transport/Makefile.am b/src/transport/Makefile.am index e0762c15a..6d55bd976 100644 --- a/src/transport/Makefile.am +++ b/src/transport/Makefile.am @@ -1,17 +1,10 @@ -h_sources = AqueousTransport.h LiquidTransportData.h L_matrix.h \ - MultiTransport.h TransportBase.h WaterTransport.h \ - DustyGasTransport.h LiquidTransport.h MixTransport.h \ - SimpleTransport.h TransportFactory.h FtnTransport.h \ - LiquidTransportParams.h MMCollisionInt.h \ - SolidTransport.h TransportParams.h -# WaterSSTP.h - +h_sources = cc_sources = AqueousTransport.cpp LiquidTransport.cpp MMCollisionInt.cpp \ SimpleTransport.cpp TransportBase.cpp WaterTransport.cpp \ DustyGasTransport.cpp MixTransport.cpp MultiTransport.cpp \ SolidTransport.cpp TransportFactory.cpp -AM_CPPFLAGS = -I../base -I../thermo -I../numerics +AM_CPPFLAGS = -I$(top_builddir)/include AM_CXXFLAGS = $(AM_CPPFLAGS) lib_LTLIBRARIES = $(top_builddir)/build/lib/libtransport.la @@ -26,9 +19,3 @@ __top_builddir__build_lib_libtransport_la_SOURCES = $(cc_sources) $(h_sourc __top_builddir__build_lib_libtransport_include_HEADERS = $(h_sources) __top_builddir__build_lib_libtransport_includedir = $(prefix)/include - - -# header file accumulation -all: - @echo copying headers $< - cp -p *.h $(top_builddir)/build/include/ diff --git a/src/zeroD/Makefile.am b/src/zeroD/Makefile.am index d0b0314ad..7ce067aa0 100644 --- a/src/zeroD/Makefile.am +++ b/src/zeroD/Makefile.am @@ -1,12 +1,9 @@ -h_sources = Reactor.h ReactorBase.h FlowDevice.h Wall.h ReactorNet.h \ - flowControllers.h PID_Controller.h Reservoir.h FlowReactor.h \ - ConstPressureReactor.h ReactorFactory.h - +h_sources = cc_sources = Reactor.cpp ReactorBase.cpp FlowDevice.cpp Wall.cpp \ ReactorNet.cpp FlowReactor.cpp ConstPressureReactor.cpp \ ReactorFactory.cpp -AM_CPPFLAGS = -I../base -I../thermo -I../kinetics -I../numerics +AM_CPPFLAGS = -I$(top_builddir)/include AM_CXXFLAGS = $(AM_CPPFLAGS) lib_LTLIBRARIES = $(top_builddir)/build/lib/libzeroD.la @@ -21,8 +18,3 @@ __top_builddir__build_lib_libzeroD_la_SOURCES = $(cc_sources) $(h_sources) __top_builddir__build_lib_libzeroD_include_HEADERS = $(h_sources) __top_builddir__build_lib_libzeroD_includedir = $(prefix)/include - -# header file accumulation -all: - @echo copying headers $< - cp -p $(h_sources) $(top_builddir)/build/include/ diff --git a/test_problems/Makefile.am b/test_problems/Makefile.am index 9d9eceb04..62144887d 100644 --- a/test_problems/Makefile.am +++ b/test_problems/Makefile.am @@ -4,7 +4,9 @@ SUBDIRS += ChemEquil_ionizedGas ChemEquil_red1 CpJump cxx_ex diamondSurf SUBDIRS += diamondSurf_dupl fracCoeff multiGasTransport NASA9poly_test SUBDIRS += negATest printUtilUnitTest pureFluidTest silane_equil SUBDIRS += spectroscopy surfkin surfSolverTest VPsilane_test -SUBDIRS += VCSnonideal +SUBDIRS += VCSnonideal PecosTransport + +#f77test # skipped (uses ck2cti or python): # ck2cti_test diff --git a/test_problems/PecosTransport/Makefile.am b/test_problems/PecosTransport/Makefile.am new file mode 100644 index 000000000..11f79dad4 --- /dev/null +++ b/test_problems/PecosTransport/Makefile.am @@ -0,0 +1,26 @@ +cc_sources = PecosTransport.cpp + +INC = -I. -I$(top_builddir)/build/include/ -g +AM_CPPFLAGS = $(INC) +AM_CXXFLAGS = $(AM_CPPFLAGS) + +LINK = -lctcxx -luser -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo +LINK += -lctnumerics -lctmath -ltpx -lctspectra -lconverters -lctbase -lcvode +LINK += -lctlapack -lctblas -lctf2c -lm -lstdc++ +AM_LDFLAGS = -L$(top_builddir)/build/lib/ +LIBS = $(LINK) + +bin_PROGRAMS = PecosTransport +library_includedir = $(INC) + +#----------------------- +# Cantera Pecos Transport test +#----------------------- + +PecosTransport_SOURCES = $(cc_sources) + + +TESTS_ENVIRONMENT = +TESTS = runtest + +EXTRA_DIST = runtest \ No newline at end of file diff --git a/test_problems/PecosTransport/PecosTransport.cpp b/test_problems/PecosTransport/PecosTransport.cpp new file mode 100644 index 000000000..e78b2114f --- /dev/null +++ b/test_problems/PecosTransport/PecosTransport.cpp @@ -0,0 +1,252 @@ +/** + * @file PecosTransport.cpp + * test problem for pecos transport + * e.g. high speed reentry flows + * with reaction chemistry + */ + +// Example +// +// + +#include +#include +#include +#include +#include + +using namespace std; + +#define MAX(x,y) (( (x) > (y) ) ? (x) : (y)) + +/*****************************************************************/ +/*****************************************************************/ + +#include "Cantera.h" +#include "transport.h" +#include "IdealGasMix.h" +#include "TransportFactory.h" + +using namespace Cantera; +using namespace Cantera_CXX; + +void printDbl(double val) { + if (fabs(val) < 5.0E-17) { + cout << " nil"; + } else { + cout << val; + } +} + +int main(int argc, char** argv) { + int k; + string infile = "diamond.xml"; + + try { + + + IdealGasMix g("gri30.xml", "gri30_mix"); + int nsp = g.nSpecies(); + double pres = 1.0E5; + vector_fp Xset(nsp, 0.0); + Xset[0] = 0.269205 ; + Xset[1] = 0.000107082; + Xset[2] = 1.36377e-09 ; + Xset[3] = 4.35475e-10; + Xset[4] = 4.34036e-06 ; + Xset[5] = 0.192249; + Xset[6] = 3.59356e-13; + Xset[7] = 2.78061e-12 ; + Xset[8] = 4.7406e-18 ; + Xset[9] = 4.12955e-17 ; + Xset[10] = 2.58549e-14 ; + Xset[11] = 8.96502e-16 ; + Xset[12] = 6.09056e-11 ; + Xset[13] = 7.56752e-09 ; + Xset[14] = 0.192253; + Xset[15] = 0.0385036; + Xset[16] = 1.49596e-08 ; + Xset[17] = 2.22378e-08 ; + Xset[18] = 1.43096e-13 ; + Xset[19] = 1.45312e-15 ; + Xset[20] = 1.96948e-12 ; + Xset[21] = 8.41937e-19; + Xset[22] = 3.18852e-13 ; + Xset[23] = 7.93625e-18 ; + Xset[24] = 3.20653e-15 ; + Xset[25] = 1.15149e-19 ; + Xset[26] = 1.61189e-18 ; + Xset[27] = 1.4719e-15 ; + Xset[28] = 5.24728e-13 ; + Xset[29] = 6.90582e-17 ; + Xset[30] = 6.37248e-12 ; + Xset[31] =5.93728e-11 ; + Xset[32] = 2.71219e-09 ; + Xset[33] = 2.66645e-06 ; + Xset[34] = 6.57142e-11 ; + Xset[35] = 9.52453e-08 ; + Xset[36] = 1.26006e-14; + Xset[37] = 3.49802e-12; + Xset[38] = 1.19232e-11 ; + Xset[39] = 7.17782e-13 ; + Xset[40] = 1.85347e-07 ; + Xset[41] = 8.25325e-14 ; + Xset[42] = 5.00914e-20 ; + Xset[43] = 1.54407e-16 ; + Xset[44] =3.07176e-11 ; + Xset[45] =4.93198e-08 ; + Xset[46] =4.84792e-12 ; + Xset[47] = 0.307675 ; + Xset[48] =0; + Xset[49] =6.21649e-29; + Xset[50] = 8.42393e-28 ; + Xset[51] = 6.77865e-18; + Xset[52] = 2.19225e-16; + double T1 = 1500.; + + double sum = 0.0; + for (k = 0; k < nsp; k++) { + sum += Xset[k]; + } + for (k = 0; k < nsp; k++) { + Xset[k] /= sum; + } + + vector_fp X2set(nsp, 0.0); + X2set[0] = 0.25 ; + X2set[5] = 0.17; + X2set[14] = 0.15; + X2set[15] = 0.05; + X2set[47] = 0.38 ; + double T2 = 1200.; + + double dist = 0.1; + + vector_fp X3set(nsp, 0.0); + X3set[0] = 0.27 ; + X3set[5] = 0.15; + X3set[14] = 0.18; + X3set[15] = 0.06; + X3set[47] = 0.36 ; + double T3 = 1400.; + + vector_fp grad_T(3, 0.0); + + Array2D grad_X(nsp, 2, 0.0); + + + for( k = 0; k < nsp; k++) { + grad_X(k,0) = (X2set[k] - Xset[k])/dist; + grad_X(k,1) = (X3set[k] - Xset[k])/dist; + } + + grad_T[0] = (T2 - T1) / dist; + grad_T[1] = (T3 - T1) / dist; + + int log_level = 0; + Transport * tran = newTransportMgr("Pecos", &g, log_level=0); + + PecosTransport * tranMix = dynamic_cast(tran); + + g.setState_TPX(1500.0, pres, DATA_PTR(Xset)); + + vector_fp mixDiffs(nsp, 0.0); + + tranMix->getMixDiffCoeffs(DATA_PTR(mixDiffs)); + printf(" Dump of the mixture Diffusivities:\n"); + for (k = 0; k < nsp; k++) { + string sss = g.speciesName(k); + printf(" %15s %13.5g\n", sss.c_str(), mixDiffs[k]); + } + + vector_fp specVisc(nsp, 0.0); + + tranMix->getSpeciesViscosities(DATA_PTR(specVisc)); + printf(" Dump of the species viscosities:\n"); + for (k = 0; k < nsp; k++) { + string sss = g.speciesName(k); + printf(" %15s %13.5g\n", sss.c_str(), specVisc[k]); + } + + vector_fp thermDiff(nsp, 0.0); + tranMix->getThermalDiffCoeffs(DATA_PTR(thermDiff)); + printf(" Dump of the Thermal Diffusivities :\n"); + for (k = 0; k < nsp; k++) { + string sss = g.speciesName(k); + printf(" %15s %13.5g\n", sss.c_str(), thermDiff[k]); + } + + printf("Viscoscity and thermal Cond vs. T\n"); + for (k = 0; k < 10; k++) { + T1 = 400. + 100. * k; + g.setState_TPX(T1, pres, DATA_PTR(Xset)); + double visc = tran->viscosity(); + double cond = tran->thermalConductivity(); + printf(" %13g %13.5g %13.5g\n", T1, visc, cond); + } + + g.setState_TPX(T1, pres, DATA_PTR(Xset)); + + Array2D Bdiff(nsp, nsp, 0.0); + printf("Binary Diffusion Coefficients H2 vs species\n"); + + tranMix->getBinaryDiffCoeffs(nsp, Bdiff.ptrColumn(0)); + for (k = 0; k < nsp; k++) { + string sss = g.speciesName(k); + printf(" H2 - %15s %13.5g %13.5g\n", sss.c_str(), Bdiff(0,k), Bdiff(k,0)); + } + + + vector_fp specMob(nsp, 0.0); + + tranMix->getMobilities(DATA_PTR(specMob)); + printf(" Dump of the species mobilities:\n"); + for (k = 0; k < nsp; k++) { + string sss = g.speciesName(k); + printf(" %15s %13.5g\n", sss.c_str(), specMob[k]); + } + + Array2D fluxes(nsp, 2, 0.0); + + tranMix->getSpeciesFluxes(2, DATA_PTR(grad_T), nsp, + grad_X.ptrColumn(0), nsp, fluxes.ptrColumn(0)); + printf(" Dump of the species fluxes:\n"); + double sum1 = 0.0; + double sum2 = 0.0; + double max1 = 0.0; + double max2 = 0.0; + for (k = 0; k < nsp; k++) { + string sss = g.speciesName(k); + printf(" %15s %13.5g %13.5g\n", sss.c_str(), fluxes(k,0), fluxes(k,1)); + sum1 += fluxes(k,0); + if (fabs(fluxes(k,0)) > max1) { + max1 = fabs(fluxes(k,0)); + } + sum2 += fluxes(k,1); + if (fabs(fluxes(k,1)) > max2) { + max2 = fabs(fluxes(k,0)); + } + } + + // Make sure roundoff error doesn't interfere with the printout. + // these should be zero. + if (fabs(sum1) * 1.0E14 > max1) { + printf("sum in x direction = %13.5g\n", sum1); + } else { + printf("sum in x direction = 0\n"); + } + if (fabs(sum2) * 1.0E14 > max2) { + printf("sum in y direction = %13.5g\n", sum1); + } else { + printf("sum in y direction = 0\n"); + } + + + } + catch (CanteraError) { + showErrors(cout); + } + + return 0; +} +/***********************************************************/ diff --git a/test_problems/PecosTransport/gri30.xml b/test_problems/PecosTransport/gri30.xml new file mode 100644 index 000000000..6acba138c --- /dev/null +++ b/test_problems/PecosTransport/gri30.xml @@ -0,0 +1,6173 @@ + + + + + + + O H C N Ar + + H2 H O O2 OH H2O HO2 H2O2 C CH + 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+ + O2:1 NCO:1 + CO2:1 NO:1 + + + + + NCO + M [=] N + CO + M + + + 3.100000E+11 + 0 + 54050.000000 + + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + + NCO:1 + CO:1 N:1 + + + + + NCO + NO [=] N2O + CO + + + 1.900000E+14 + -1.52 + 740.000000 + + + NO:1 NCO:1 + CO:1 N2O:1 + + + + + NCO + NO [=] N2 + CO2 + + + 3.800000E+15 + -2 + 800.000000 + + + NO:1 NCO:1 + N2:1 CO2:1 + + + + + HCN + M [=] H + CN + M + + + 1.040000E+26 + -3.2999999999999998 + 126600.000000 + + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + + HCN:1 + H:1 CN:1 + + + + + HCN + O [=] NCO + H + + + 2.030000E+01 + 2.6400000000000001 + 4980.000000 + + + HCN:1 O:1 + H:1 NCO:1 + + + + + HCN + O [=] NH + CO + + + 5.070000E+00 + 2.6400000000000001 + 4980.000000 + + + HCN:1 O:1 + NH:1 CO:1 + + + + + HCN + O [=] CN + OH + + + 3.910000E+06 + 1.5800000000000001 + 26600.000000 + + + HCN:1 O:1 + CN:1 OH:1 + + + + + HCN + OH [=] HOCN + H + + + 1.100000E+03 + 2.0299999999999998 + 13370.000000 + + + HCN:1 OH:1 + HOCN:1 H:1 + + + + + HCN + OH [=] HNCO + H + + + 4.400000E+00 + 2.2599999999999998 + 6400.000000 + + + HCN:1 OH:1 + HNCO:1 H:1 + + + + + HCN + OH [=] NH2 + CO + + + 1.600000E-01 + 2.5600000000000001 + 9000.000000 + + + HCN:1 OH:1 + CO:1 NH2:1 + + + + + H + HCN (+ M) [=] H2CN (+ M) + + + 3.300000E+10 + 0 + 0.000000 + + + 1.400000E+20 + -3.3999999999999999 + 1900.000000 + + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + + + H:1 HCN:1 + H2CN:1 + + + + + H2CN + N [=] N2 + CH2 + + + 6.000000E+10 + 0 + 400.000000 + + + H2CN:1 N:1 + N2:1 CH2:1 + + + + + C + N2 [=] CN + N + + + 6.300000E+10 + 0 + 46020.000000 + + + C:1 N2:1 + CN:1 N:1 + + + + + CH + N2 [=] HCN + N + + + 3.120000E+06 + 0.88 + 20130.000000 + + + N2:1 CH:1 + HCN:1 N:1 + + + + + CH + N2 (+ M) [=] HCNN (+ M) + + + 3.100000E+09 + 0.14999999999999999 + 0.000000 + + + 1.300000E+19 + -3.1600000000000001 + 740.000000 + + AR:1 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + 0.667 235 2117 4536 + + N2:1 CH:1 + HCNN:1 + + + + + CH2 + N2 [=] HCN + NH + + + 1.000000E+10 + 0 + 74000.000000 + + + CH2:1 N2:1 + NH:1 HCN:1 + + + + + CH2(S) + N2 [=] NH + HCN + + + 1.000000E+08 + 0 + 65000.000000 + + + CH2(S):1 N2:1 + NH:1 HCN:1 + + + + + C + NO [=] CN + O + + + 1.900000E+10 + 0 + 0.000000 + + + C:1 NO:1 + CN:1 O:1 + + + + + C + NO [=] CO + N + + + 2.900000E+10 + 0 + 0.000000 + + + C:1 NO:1 + CO:1 N:1 + + + + + CH + NO [=] HCN + O + + + 4.100000E+10 + 0 + 0.000000 + + + CH:1 NO:1 + HCN:1 O:1 + + + + + CH + NO [=] H + NCO + + + 1.620000E+10 + 0 + 0.000000 + + + CH:1 NO:1 + H:1 NCO:1 + + + + + CH + NO [=] N + HCO + + + 2.460000E+10 + 0 + 0.000000 + + + CH:1 NO:1 + HCO:1 N:1 + + + + + CH2 + NO [=] H + HNCO + + + 3.100000E+14 + -1.3799999999999999 + 1270.000000 + + + CH2:1 NO:1 + HNCO:1 H:1 + + + + + CH2 + NO [=] OH + HCN + + + 2.900000E+11 + -0.68999999999999995 + 760.000000 + + + CH2:1 NO:1 + HCN:1 OH:1 + + + + + CH2 + NO [=] H + HCNO + + + 3.800000E+10 + -0.35999999999999999 + 580.000000 + + + CH2:1 NO:1 + H:1 HCNO:1 + + + + + CH2(S) + NO [=] H + HNCO + + + 3.100000E+14 + -1.3799999999999999 + 1270.000000 + + + CH2(S):1 NO:1 + HNCO:1 H:1 + + + + + CH2(S) + NO [=] OH + HCN + + + 2.900000E+11 + -0.68999999999999995 + 760.000000 + + + CH2(S):1 NO:1 + HCN:1 OH:1 + + + + + CH2(S) + NO [=] H + HCNO + + + 3.800000E+10 + -0.35999999999999999 + 580.000000 + + + CH2(S):1 NO:1 + H:1 HCNO:1 + + + + + CH3 + NO [=] HCN + H2O + + + 9.600000E+10 + 0 + 28800.000000 + + + CH3:1 NO:1 + H2O:1 HCN:1 + + + + + CH3 + NO [=] H2CN + OH + + + 1.000000E+09 + 0 + 21750.000000 + + + CH3:1 NO:1 + H2CN:1 OH:1 + + + + + HCNN + O [=] CO + H + N2 + + + 2.200000E+10 + 0 + 0.000000 + + + O:1 HCNN:1 + H:1 N2:1 CO:1 + + + + + HCNN + O [=] HCN + NO + + + 2.000000E+09 + 0 + 0.000000 + + + O:1 HCNN:1 + HCN:1 NO:1 + + + + + HCNN + O2 [=] O + HCO + N2 + + + 1.200000E+10 + 0 + 0.000000 + + + O2:1 HCNN:1 + N2:1 HCO:1 O:1 + + + + + HCNN + OH [=] H + HCO + N2 + + + 1.200000E+10 + 0 + 0.000000 + + + OH:1 HCNN:1 + H:1 N2:1 HCO:1 + + + + + HCNN + H [=] CH2 + N2 + + + 1.000000E+11 + 0 + 0.000000 + + + H:1 HCNN:1 + CH2:1 N2:1 + + + + + HNCO + O [=] NH + CO2 + + + 9.800000E+04 + 1.4099999999999999 + 8500.000000 + + + HNCO:1 O:1 + NH:1 CO2:1 + + + + + HNCO + O [=] HNO + CO + + + 1.500000E+05 + 1.5700000000000001 + 44000.000000 + + + HNCO:1 O:1 + CO:1 HNO:1 + + + + + HNCO + O [=] NCO + OH + + + 2.200000E+03 + 2.1099999999999999 + 11400.000000 + + + HNCO:1 O:1 + OH:1 NCO:1 + + + + + HNCO + H [=] NH2 + CO + + + 2.250000E+04 + 1.7 + 3800.000000 + + + HNCO:1 H:1 + CO:1 NH2:1 + + + + + HNCO + H [=] H2 + NCO + + + 1.050000E+02 + 2.5 + 13300.000000 + + + HNCO:1 H:1 + H2:1 NCO:1 + + + + + HNCO + OH [=] NCO + H2O + + + 3.300000E+04 + 1.5 + 3600.000000 + + + HNCO:1 OH:1 + H2O:1 NCO:1 + + + + + HNCO + OH [=] NH2 + CO2 + + + 3.300000E+03 + 1.5 + 3600.000000 + + + HNCO:1 OH:1 + CO2:1 NH2:1 + + + + + HNCO + M [=] NH + CO + M + + + 1.180000E+13 + 0 + 84720.000000 + + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + + HNCO:1 + NH:1 CO:1 + + + + + HCNO + H [=] H + HNCO + + + 2.100000E+12 + -0.68999999999999995 + 2850.000000 + + + H:1 HCNO:1 + HNCO:1 H:1 + + + + + HCNO + H [=] OH + HCN + + + 2.700000E+08 + 0.17999999999999999 + 2120.000000 + + + H:1 HCNO:1 + HCN:1 OH:1 + + + + + HCNO + H [=] NH2 + CO + + + 1.700000E+11 + -0.75 + 2890.000000 + + + H:1 HCNO:1 + CO:1 NH2:1 + + + + + HOCN + H [=] H + HNCO + + + 2.000000E+04 + 2 + 2000.000000 + + + HOCN:1 H:1 + HNCO:1 H:1 + + + + + HCCO + NO [=] HCNO + CO + + + 9.000000E+09 + 0 + 0.000000 + + + HCCO:1 NO:1 + CO:1 HCNO:1 + + + + + CH3 + N [=] H2CN + H + + + 6.100000E+11 + -0.31 + 290.000000 + + + CH3:1 N:1 + H:1 H2CN:1 + + + + + CH3 + N [=] HCN + H2 + + + 3.700000E+09 + 0.14999999999999999 + -90.000000 + + + CH3:1 N:1 + H2:1 HCN:1 + + + + + NH3 + H [=] NH2 + H2 + + + 5.400000E+02 + 2.3999999999999999 + 9915.000000 + + + H:1 NH3:1 + H2:1 NH2:1 + + + + + NH3 + OH [=] NH2 + H2O + + + 5.000000E+04 + 1.6000000000000001 + 955.000000 + + + NH3:1 OH:1 + H2O:1 NH2:1 + + + + + NH3 + O [=] NH2 + OH + + + 9.400000E+03 + 1.9399999999999999 + 6460.000000 + + + O:1 NH3:1 + OH:1 NH2:1 + + + + + NH + CO2 [=] HNO + CO + + + 1.000000E+10 + 0 + 14350.000000 + + + NH:1 CO2:1 + CO:1 HNO:1 + + + + + CN + NO2 [=] NCO + NO + + + 6.160000E+12 + -0.752 + 345.000000 + + + CN:1 NO2:1 + NO:1 NCO:1 + + + + + NCO + NO2 [=] N2O + CO2 + + + 3.250000E+09 + 0 + -705.000000 + + + NO2:1 NCO:1 + CO2:1 N2O:1 + + + + + N + CO2 [=] NO + CO + + + 3.000000E+09 + 0 + 11300.000000 + + + CO2:1 N:1 + CO:1 NO:1 + + + + + O + CH3 =] H + H2 + CO + + + 3.370000E+10 + 0 + 0.000000 + + + CH3:1 O:1 + H2:1 H:1 CO:1 + + + + + O + C2H4 [=] H + CH2CHO + + + 6.700000E+03 + 1.8300000000000001 + 220.000000 + + + C2H4:1 O:1 + H:1 CH2CHO:1 + + + + + O + C2H5 [=] H + CH3CHO + + + 1.096000E+11 + 0 + 0.000000 + + + C2H5:1 O:1 + H:1 CH3CHO:1 + + + + + OH + HO2 [=] O2 + H2O + + + 5.000000E+12 + 0 + 17330.000000 + + + HO2:1 OH:1 + H2O:1 O2:1 + + + + + OH + CH3 =] H2 + CH2O + + + 8.000000E+06 + 0.5 + -1755.000000 + + + CH3:1 OH:1 + H2:1 CH2O:1 + + + + + CH + H2 (+ M) [=] CH3 (+ M) + + + 1.970000E+09 + 0.42999999999999999 + -370.000000 + + + 4.820000E+19 + -2.7999999999999998 + 590.000000 + + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + 0.578 122 2535 9365 + + H2:1 CH:1 + CH3:1 + + + + + CH2 + O2 =] 2 H + CO2 + + + 5.800000E+09 + 0 + 1500.000000 + + + CH2:1 O2:1 + H:2 CO2:1 + + + + + CH2 + O2 [=] O + CH2O + + + 2.400000E+09 + 0 + 1500.000000 + + + CH2:1 O2:1 + CH2O:1 O:1 + + + + + CH2 + CH2 =] 2 H + C2H2 + + + 2.000000E+11 + 0 + 10989.000000 + + + CH2:2 + H:2 C2H2:1 + + + + + CH2(S) + H2O =] H2 + CH2O + + + 6.820000E+07 + 0.25 + -935.000000 + + + CH2(S):1 H2O:1 + H2:1 CH2O:1 + + + + + C2H3 + O2 [=] O + CH2CHO + + + 3.030000E+08 + 0.28999999999999998 + 11.000000 + + + C2H3:1 O2:1 + CH2CHO:1 O:1 + + + + + C2H3 + O2 [=] HO2 + C2H2 + + + 1.337000E+03 + 1.6100000000000001 + -384.000000 + + + C2H3:1 O2:1 + HO2:1 C2H2:1 + + + + + O + CH3CHO [=] OH + CH2CHO + + + 5.840000E+09 + 0 + 1808.000000 + + + CH3CHO:1 O:1 + CH2CHO:1 OH:1 + + + + + O + CH3CHO =] OH + CH3 + CO + + + 5.840000E+09 + 0 + 1808.000000 + + + CH3CHO:1 O:1 + CH3:1 CO:1 OH:1 + + + + + O2 + CH3CHO =] HO2 + CH3 + CO + + + 3.010000E+10 + 0 + 39150.000000 + + + CH3CHO:1 O2:1 + CO:1 CH3:1 HO2:1 + + + + + H + CH3CHO [=] CH2CHO + H2 + + + 2.050000E+06 + 1.1599999999999999 + 2405.000000 + + + H:1 CH3CHO:1 + H2:1 CH2CHO:1 + + + + + H + CH3CHO =] CH3 + H2 + CO + + + 2.050000E+06 + 1.1599999999999999 + 2405.000000 + + + H:1 CH3CHO:1 + H2:1 CH3:1 CO:1 + + + + + OH + CH3CHO =] CH3 + H2O + CO + + + 2.343000E+07 + 0.72999999999999998 + -1113.000000 + + + CH3CHO:1 OH:1 + H2O:1 CH3:1 CO:1 + + + + + HO2 + CH3CHO =] CH3 + H2O2 + CO + + + 3.010000E+09 + 0 + 11923.000000 + + + CH3CHO:1 HO2:1 + CH3:1 CO:1 H2O2:1 + + + + + CH3 + CH3CHO =] CH3 + CH4 + CO + + + 2.720000E+03 + 1.77 + 5920.000000 + + + CH3CHO:1 CH3:1 + CO:1 CH3:1 CH4:1 + + + + + H + CH2CO (+ M) [=] CH2CHO (+ M) + + + 4.865000E+08 + 0.42199999999999999 + -1755.000000 + + + 1.012000E+36 + -7.6299999999999999 + 3854.000000 + + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + 0.465 201 1773 5333 + + H:1 CH2CO:1 + CH2CHO:1 + + + + + O + CH2CHO =] H + CH2 + CO2 + + + 1.500000E+11 + 0 + 0.000000 + + + CH2CHO:1 O:1 + H:1 CH2:1 CO2:1 + + + + + O2 + CH2CHO =] OH + CO + CH2O + + + 1.810000E+07 + 0 + 0.000000 + + + CH2CHO:1 O2:1 + CH2O:1 CO:1 OH:1 + + + + + O2 + CH2CHO =] OH + 2 HCO + + + 2.350000E+07 + 0 + 0.000000 + + + CH2CHO:1 O2:1 + HCO:2 OH:1 + + + + + H + CH2CHO [=] CH3 + HCO + + + 2.200000E+10 + 0 + 0.000000 + + + H:1 CH2CHO:1 + CH3:1 HCO:1 + + + + + H + CH2CHO [=] CH2CO + H2 + + + 1.100000E+10 + 0 + 0.000000 + + + H:1 CH2CHO:1 + H2:1 CH2CO:1 + + + + + OH + CH2CHO [=] H2O + CH2CO + + + 1.200000E+10 + 0 + 0.000000 + + + CH2CHO:1 OH:1 + H2O:1 CH2CO:1 + + + + + OH + CH2CHO [=] HCO + CH2OH + + + 3.010000E+10 + 0 + 0.000000 + + + CH2CHO:1 OH:1 + CH2OH:1 HCO:1 + + + + + CH3 + C2H5 (+ M) [=] C3H8 (+ M) + + + 9.430000E+09 + 0 + 0.000000 + + + 2.710000E+68 + -16.82 + 13065.000000 + + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + 0.1527 291 2742 7748 + + C2H5:1 CH3:1 + C3H8:1 + + + + + O + C3H8 [=] OH + C3H7 + + + 1.930000E+02 + 2.6800000000000002 + 3716.000000 + + + C3H8:1 O:1 + C3H7:1 OH:1 + + + + + H + C3H8 [=] C3H7 + H2 + + + 1.320000E+03 + 2.54 + 6756.000000 + + + H:1 C3H8:1 + H2:1 C3H7:1 + + + + + OH + C3H8 [=] C3H7 + H2O + + + 3.160000E+04 + 1.8 + 934.000000 + + + C3H8:1 OH:1 + C3H7:1 H2O:1 + + + + + C3H7 + H2O2 [=] HO2 + C3H8 + + + 3.780000E-01 + 2.7200000000000002 + 1500.000000 + + + C3H7:1 H2O2:1 + HO2:1 C3H8:1 + + + + + CH3 + C3H8 [=] C3H7 + CH4 + + + 9.030000E-04 + 3.6499999999999999 + 7154.000000 + + + CH3:1 C3H8:1 + C3H7:1 CH4:1 + + + + + CH3 + C2H4 (+ M) [=] C3H7 (+ M) + + + 2.550000E+03 + 1.6000000000000001 + 5700.000000 + + + 3.000000E+57 + -14.6 + 18170.000000 + + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + 0.1894 277 8748 7891 + + CH3:1 C2H4:1 + C3H7:1 + + + + + O + C3H7 [=] C2H5 + CH2O + + + 9.640000E+10 + 0 + 0.000000 + + + C3H7:1 O:1 + CH2O:1 C2H5:1 + + + + + H + C3H7 (+ M) [=] C3H8 (+ M) + + + 3.613000E+10 + 0 + 0.000000 + + + 4.420000E+55 + -13.545 + 11357.000000 + + AR:0.7 C2H6:3 CH4:2 CO:1.5 CO2:2 H2:2 H2O:6 + 0.315 369 3285 6667 + + H:1 C3H7:1 + C3H8:1 + + + + + H + C3H7 [=] CH3 + C2H5 + + + 4.060000E+03 + 2.1899999999999999 + 890.000000 + + + H:1 C3H7:1 + C2H5:1 CH3:1 + + + + + OH + C3H7 [=] C2H5 + CH2OH + + + 2.410000E+10 + 0 + 0.000000 + + + C3H7:1 OH:1 + CH2OH:1 C2H5:1 + + + + + HO2 + C3H7 [=] O2 + C3H8 + + + 2.550000E+07 + 0.255 + -943.000000 + + + C3H7:1 HO2:1 + O2:1 C3H8:1 + + + + + HO2 + C3H7 =] OH + C2H5 + CH2O + + + 2.410000E+10 + 0 + 0.000000 + + + C3H7:1 HO2:1 + CH2O:1 C2H5:1 OH:1 + + + + + CH3 + C3H7 [=] 2 C2H5 + + + 1.927000E+10 + -0.32000000000000001 + 0.000000 + + + C3H7:1 CH3:1 + C2H5:2 + + + diff --git a/test_problems/PecosTransport/output_blessed.txt b/test_problems/PecosTransport/output_blessed.txt new file mode 100644 index 000000000..610c3a9a0 --- /dev/null +++ b/test_problems/PecosTransport/output_blessed.txt @@ -0,0 +1,337 @@ + Dump of the mixture Diffusivities: + H2 0.0016117 + H 0.0022586 + O 0.00064032 + O2 0.00042264 + OH 0.00062946 + H2O 0.00055526 + HO2 0.00042019 + H2O2 0.00041763 + C 0.00059188 + CH 0.00068026 + CH2 0.0004608 + CH2(S) 0.0004608 + CH3 0.00045156 + CH4 0.00044985 + CO 0.00040272 + CO2 0.0003319 + HCO 0.00036192 + CH2O 0.00035926 + CH2OH 0.00035027 + CH3O 0.00035027 + CH3OH 0.00035149 + C2H 0.0003524 + C2H2 0.00034919 + C2H3 0.00034618 + C2H4 0.00034633 + C2H5 0.00031771 + C2H6 0.00031538 + HCCO 0.00053082 + CH2CO 0.00030634 + HCCOH 0.00030634 + N 0.00056491 + NH 0.00067404 + NH2 0.00066041 + NH3 0.00050222 + NNH 0.00040495 + NO 0.00041226 + NO2 0.00037026 + N2O 0.00033509 + HNO 0.00041903 + CN 0.00040648 + HCN 0.00035852 + H2CN 0.00035559 + HCNN 0.00053081 + HCNO 0.00033642 + HOCN 0.00033642 + HNCO 0.00033642 + NCO 0.00033783 + N2 0.00039204 + AR 0.00041248 + C3H7 0.00024676 + C3H8 0.00024577 + CH2CHO 0.00030507 + CH3CHO 0.00030384 + Dump of the species viscosities: + H2 2.5558e-05 + H 3.012e-05 + O 7.2846e-05 + O2 6.232e-05 + OH 7.5106e-05 + H2O 5.3252e-05 + HO2 6.3294e-05 + H2O2 6.4253e-05 + C 4.4565e-05 + CH 6.5712e-05 + CH2 3.2735e-05 + CH2(S) 3.2735e-05 + CH3 3.3891e-05 + CH4 3.6048e-05 + CO 5.31e-05 + CO2 5.4383e-05 + HCO 4.1657e-05 + CH2O 4.2374e-05 + CH2OH 4.1945e-05 + CH3O 4.1945e-05 + CH3OH 4.3184e-05 + C2H 3.5412e-05 + C2H2 3.6118e-05 + C2H3 3.6811e-05 + C2H4 3.7975e-05 + C2H5 3.3591e-05 + C2H6 3.4169e-05 + HCCO 0.00012854 + CH2CO 4.2391e-05 + HCCOH 4.2391e-05 + N 4.8126e-05 + NH 7.5995e-05 + NH2 7.8505e-05 + NH3 4.7175e-05 + NNH 5.2243e-05 + NO 5.5922e-05 + NO2 6.636e-05 + N2O 5.2858e-05 + HNO 5.9564e-05 + CN 4.7597e-05 + HCN 3.7899e-05 + H2CN 3.86e-05 + HCNN 0.00012855 + HCNO 5.2262e-05 + HOCN 5.2262e-05 + HNCO 5.2262e-05 + NCO 5.1646e-05 + N2 5.4033e-05 + AR 7.2525e-05 + C3H7 3.0191e-05 + C3H8 3.0542e-05 + CH2CHO 4.2896e-05 + CH3CHO 4.3395e-05 + Dump of the Thermal Diffusivities : + H2 0 + H 0 + O 0 + O2 0 + OH 0 + H2O 0 + HO2 0 + H2O2 0 + C 0 + CH 0 + CH2 0 + CH2(S) 0 + CH3 0 + CH4 0 + CO 0 + CO2 0 + HCO 0 + CH2O 0 + CH2OH 0 + CH3O 0 + CH3OH 0 + C2H 0 + C2H2 0 + C2H3 0 + C2H4 0 + C2H5 0 + C2H6 0 + HCCO 0 + CH2CO 0 + HCCOH 0 + N 0 + NH 0 + NH2 0 + NH3 0 + NNH 0 + NO 0 + NO2 0 + N2O 0 + HNO 0 + CN 0 + HCN 0 + H2CN 0 + HCNN 0 + HCNO 0 + HOCN 0 + HNCO 0 + NCO 0 + N2 0 + AR 0 + C3H7 0 + C3H8 0 + CH2CHO 0 + CH3CHO 0 +Viscoscity and thermal Cond vs. T + 400 1.9759e-05 0.064074 + 500 2.3573e-05 0.076325 + 600 2.7136e-05 0.088306 + 700 3.0495e-05 0.10018 + 800 3.3685e-05 0.11201 + 900 3.6732e-05 0.12378 + 1000 3.9656e-05 0.13549 + 1100 4.2474e-05 0.14712 + 1200 4.5198e-05 0.15867 + 1300 4.7839e-05 0.17011 +Binary Diffusion Coefficients H2 vs species + H2 - H2 0.0016879 0.0016879 + H2 - H 0.0025721 0.0025721 + H2 - O 0.0012683 0.0012683 + H2 - O2 0.00095123 0.00095123 + H2 - OH 0.0012641 0.0012641 + H2 - H2O 0.0011339 0.0011339 + H2 - HO2 0.00095037 0.00095037 + H2 - H2O2 0.00094956 0.00094956 + H2 - C 0.0010829 0.0010829 + H2 - CH 0.0012845 0.0012845 + H2 - CH2 0.00086916 0.00086916 + H2 - CH2(S) 0.00086916 0.00086916 + H2 - CH3 0.00086549 0.00086549 + H2 - CH4 0.0008765 0.0008765 + H2 - CO 0.00090717 0.00090717 + H2 - CO2 0.00080661 0.00080661 + H2 - HCO 0.00080995 0.00080995 + H2 - CH2O 0.00080907 0.00080907 + H2 - CH2OH 0.00079571 0.00079571 + H2 - CH3O 0.00079571 0.00079571 + H2 - CH3OH 0.00079986 0.00079986 + H2 - C2H 0.00075165 0.00075165 + H2 - C2H2 0.00075057 0.00075057 + H2 - C2H3 0.00074956 0.00074956 + H2 - C2H4 0.00075894 0.00075894 + H2 - C2H5 0.00069633 0.00069633 + H2 - C2H6 0.00069557 0.00069557 + H2 - HCCO 0.0012756 0.0012756 + H2 - CH2CO 0.00072381 0.00072381 + H2 - HCCOH 0.00072381 0.00072381 + H2 - N 0.0010717 0.0010717 + H2 - NH 0.0013191 0.0013191 + H2 - NH2 0.0013142 0.0013142 + H2 - NH3 0.001032 0.001032 + H2 - NNH 0.00088778 0.00088778 + H2 - NO 0.00091388 0.00091388 + H2 - NO2 0.00088641 0.00088641 + H2 - N2O 0.00079306 0.00079306 + H2 - HNO 0.00093712 0.00093712 + H2 - CN 0.00087207 0.00087207 + H2 - HCN 0.00079297 0.00079297 + H2 - H2CN 0.00079198 0.00079198 + H2 - HCNN 0.0012756 0.0012756 + H2 - HCNO 0.00079346 0.00079346 + H2 - HOCN 0.00079346 0.00079346 + H2 - HNCO 0.00079346 0.00079346 + H2 - NCO 0.00079388 0.00079388 + H2 - N2 0.00091593 0.00091593 + H2 - AR 0.00096701 0.00096701 + H2 - C3H7 0.00057286 0.00057286 + H2 - C3H8 0.00057256 0.00057256 + H2 - CH2CHO 0.00072342 0.00072342 + H2 - CH3CHO 0.00072305 0.00072305 + Dump of the species mobilities: + H2 0 + H 0 + O 0 + O2 0 + OH 0 + H2O 0 + HO2 0 + H2O2 0 + C 0 + CH 0 + CH2 0 + CH2(S) 0 + CH3 0 + CH4 0 + CO 0 + CO2 0 + HCO 0 + CH2O 0 + CH2OH 0 + CH3O 0 + CH3OH 0 + C2H 0 + C2H2 0 + C2H3 0 + C2H4 0 + C2H5 0 + C2H6 0 + HCCO 0 + CH2CO 0 + HCCOH 0 + N 0 + NH 0 + NH2 0 + NH3 0 + NNH 0 + NO 0 + NO2 0 + N2O 0 + HNO 0 + CN 0 + HCN 0 + H2CN 0 + HCNN 0 + HCNO 0 + HOCN 0 + HNCO 0 + NCO 0 + N2 0 + AR 0 + C3H7 0 + C3H8 0 + CH2CHO 0 + CH3CHO 0 + Dump of the species fluxes: + H2 4.9545e-06 4.7567e-07 + H 1.7837e-08 1.789e-08 + O 1.0349e-12 1.0455e-12 + O2 4.3943e-13 4.4615e-13 + OH 3.4428e-09 3.4784e-09 + H2O 1.8709e-05 3.4889e-05 + HO2 3.7201e-16 3.7773e-16 + H2O2 2.9488e-15 2.9944e-15 + C 2.4999e-21 2.5274e-21 + CH 2.7066e-20 2.7325e-20 + CH2 1.244e-17 1.2614e-17 + CH2(S) 4.3133e-19 4.374e-19 + CH3 3.0793e-14 3.1235e-14 + CH4 4.0663e-12 4.1249e-12 + CO 3.8712e-05 1.6658e-05 + CO2 -1.0949e-05 -2.0749e-05 + HCO 1.1703e-11 1.1913e-11 + CH2O 1.7873e-11 1.8195e-11 + CH2OH 1.1592e-16 1.1806e-16 + CH3O 1.1772e-18 1.1989e-18 + CH3OH 1.654e-15 1.6844e-15 + C2H 5.5585e-22 5.6602e-22 + C2H2 2.1704e-16 2.2105e-16 + C2H3 5.5644e-21 5.668e-21 + C2H4 2.3304e-18 2.3738e-18 + C2H5 7.9768e-23 8.1382e-23 + C2H6 1.1471e-21 1.1705e-21 + HCCO 2.3793e-18 2.4084e-18 + CH2CO 5.0625e-16 5.1689e-16 + HCCOH 6.6627e-20 6.8027e-20 + N 3.7434e-15 3.7864e-15 + NH 4.4475e-14 4.4905e-14 + NH2 2.1232e-12 2.1442e-12 + NH3 1.6825e-09 1.7044e-09 + NNH 5.7734e-14 5.8654e-14 + NO 8.7981e-11 8.9359e-11 + NO2 1.6047e-17 1.6326e-17 + N2O 3.8657e-15 3.94e-15 + HNO 1.1565e-14 1.1743e-14 + CN 5.674e-16 5.7641e-16 + HCN 1.3369e-10 1.3611e-10 + H2CN 6.1261e-17 6.2377e-17 + HCNN 8.0976e-23 8.1968e-23 + HCNO 1.6745e-19 1.7065e-19 + HOCN 3.3312e-14 3.395e-14 + HNCO 5.3485e-11 5.4509e-11 + NCO 5.1551e-15 5.2534e-15 + N2 -5.1449e-05 -3.1297e-05 + AR 0 0 + C3H7 5.0022e-32 5.1314e-32 + C3H8 6.9103e-31 7.0895e-31 + CH2CHO 6.6698e-21 6.8105e-21 + CH3CHO 2.199e-19 2.2455e-19 +sum in x direction = 0 +sum in y direction = 0 diff --git a/test_problems/PecosTransport/runtest b/test_problems/PecosTransport/runtest new file mode 100755 index 000000000..ab7e3d312 --- /dev/null +++ b/test_problems/PecosTransport/runtest @@ -0,0 +1,36 @@ +#!/bin/sh +# +# + +temp_success="1" +/bin/rm -f output.txt outputa.txt +tname="PecosTransport" +################################################################# +# +################################################################# +CANTERA_DATA=${CANTERA_DATA:=../../data/inputs}; export CANTERA_DATA + +CANTERA_BIN=${CANTERA_BIN:=../../bin} +./PecosTransport > output.txt +retnStat=$? +if [ $retnStat != "0" ] +then + temp_success="0" + echo "$tname ($tname test) returned with bad status, $retnStat, check output" + exit 1 +fi + +../../bin/exp3to2.sh output.txt > outputa.txt +diff -w outputa.txt output_blessed.txt > diff_test.out +retnStat=$? +if [ $retnStat = "0" ] +then + echo "successful diff comparison on $tname test" + exit 0 +else + echo "unsuccessful diff comparison on $tname test" + echo "FAILED" > csvCode.txt + temp_success="0" + exit 1 +fi + diff --git a/test_problems/cathermo/DH_graph_1/Makefile.am b/test_problems/cathermo/DH_graph_1/Makefile.am index 7a05008fd..8b3eb31bf 100644 --- a/test_problems/cathermo/DH_graph_1/Makefile.am +++ b/test_problems/cathermo/DH_graph_1/Makefile.am @@ -1,10 +1,9 @@ -cc_sources = DH_graph_1.cpp - -INC = -I. -I$(top_builddir)/build/include/ +INC = -I. -I$(top_builddir)/include/ -I$(top_builddir)/test_problems/shared AM_CPPFLAGS = $(INC) AM_CXXFLAGS = $(AM_CPPFLAGS) -LINK = -lctcxx -luser -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo +#LINK = -luser -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo +LINK = -loneD -lzeroD -lequil -lkinetics -ltransport -lthermo LINK += -lctnumerics -lctmath -ltpx -lctspectra -lconverters -lctbase -lcvode LINK += -lctlapack -lctblas -lctf2c -lm -lstdc++ AM_LDFLAGS = -L$(top_builddir)/build/lib/ @@ -17,8 +16,7 @@ library_includedir = $(INC) # Cantera DH graph test #----------------------- -DH_graph_1_SOURCES = $(cc_sources) - +DH_graph_1_SOURCES = DH_graph_1.cpp TESTS_ENVIRONMENT = TESTS = runtest