From a22145b832e0b1c750f73446f04ae12383a77b6e Mon Sep 17 00:00:00 2001 From: Dave Goodwin Date: Wed, 9 Jan 2008 13:43:26 +0000 Subject: [PATCH] *** empty log message *** --- CMakeLists.txt | 4 +- Cantera/CMakeLists.txt | 8 +- Cantera/cxx/include/Interface.h | 23 +- Cantera/cxx/include/thermo.h | 2 + Cantera/src/CMakeLists.txt | 2 + Cantera/src/kinetics/GRI_30_Kinetics.cpp | 22 +- Cantera/src/kinetics/GasKinetics.cpp | 26 +- Cantera/src/kinetics/GasKinetics.h | 68 +- Cantera/src/kinetics/Kinetics.h | 2 +- Cantera/src/thermo/CMakeLists.txt | 15 +- Cantera/src/thermo/ThermoFactory.h | 1 - ChangeLog | 3734 +++++++++++++++++++++- test_problems/surfkin/surface.xml | 12 +- test_problems/surfkin/surfdemo.cpp | 6 +- 14 files changed, 3822 insertions(+), 103 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 2a3d56dcd..a5dc7e51a 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -3,7 +3,7 @@ PROJECT (Cantera) #---------------------------- # user-configurable settings #---------------------------- -INCLUDE (config.cmake) +#INCLUDE (config.cmake) #operating system @@ -19,8 +19,6 @@ else (PYTHON_CMD STREQUAL "default") SET( PYTHON_EXE ${PYTHON_CMD} ) endif (PYTHON_CMD STREQUAL "default") -INCLUDE(cmake/thermo.cmake) - INCLUDE(cmake/fortran.cmake) # configuration diff --git a/Cantera/CMakeLists.txt b/Cantera/CMakeLists.txt index fa00bcc21..db0ce3f50 100644 --- a/Cantera/CMakeLists.txt +++ b/Cantera/CMakeLists.txt @@ -1,9 +1,5 @@ add_subdirectory(src) +add_subdirectory(clib) +add_subdirectory(fortran) -if (BUILD_F90_INTERFACE) - add_subdirectory(fortran) -endif (BUILD_F90_INTERFACE) -if (BUILD_MATLAB_TOOLBOX) - add_subdirectory(matlab) -endif (BUILD_MATLAB_TOOLBOX) diff --git a/Cantera/cxx/include/Interface.h b/Cantera/cxx/include/Interface.h index fc759f33b..0734fd233 100644 --- a/Cantera/cxx/include/Interface.h +++ b/Cantera/cxx/include/Interface.h @@ -3,19 +3,21 @@ * Declaration and Definition for the class Interface, part of * Cantera's Cantera_CXX namespace. */ + /* * $Id$ */ + #ifndef CXX_INTERFACE #define CXX_INTERFACE #include - #include "Cantera.h" #include "thermo.h" -#include "kernel/SurfPhase.h" -#include "kernel/InterfaceKinetics.h" -#include "kernel/importKinetics.h" +#include "kinetics.h" +// #include "kernel/SurfPhase.h" +// #include "kernel/InterfaceKinetics.h" +// #include "kernel/importKinetics.h" /** * This namespace is used for the Cantera C++ user interface. @@ -23,12 +25,12 @@ namespace Cantera_CXX { /** - * An interface between multiple bulk phases. This class is defined - * mostly for convenience. It inherits both from Cantera::SurfPhase - * and Cantera::InterfaceKinetics. It therefore represents a - * surface phase, and also acts as the kinetics manager to manage - * reaction occurring on the surface, possibly involving species - * from other phases. + * An interface between multiple bulk phases. This class is + * defined mostly for convenience. It inherits both from + * Cantera::SurfPhase and Cantera::InterfaceKinetics. It therefore + * represents a surface phase, and also acts as the kinetics + * manager to manage reaction occurring on the surface, possibly + * involving species from other phases. */ class Interface : public Cantera::SurfPhase, @@ -48,7 +50,6 @@ namespace Cantera_CXX { Interface(std::string infile, std::string id, std::vector phases) : m_ok(false), m_r(0) { - m_r = Cantera::get_XML_File(infile); if (id == "-") id = ""; diff --git a/Cantera/cxx/include/thermo.h b/Cantera/cxx/include/thermo.h index d16ad4702..a27b23336 100755 --- a/Cantera/cxx/include/thermo.h +++ b/Cantera/cxx/include/thermo.h @@ -11,5 +11,7 @@ #include "kernel/ThermoFactory.h" #include "importPhase.h" +#include "kernel/SurfPhase.h" +#include "kernel/EdgePhase.h" #endif diff --git a/Cantera/src/CMakeLists.txt b/Cantera/src/CMakeLists.txt index c581103ec..001d48299 100644 --- a/Cantera/src/CMakeLists.txt +++ b/Cantera/src/CMakeLists.txt @@ -1,2 +1,4 @@ add_subdirectory(base) add_subdirectory(thermo) + + diff --git a/Cantera/src/kinetics/GRI_30_Kinetics.cpp b/Cantera/src/kinetics/GRI_30_Kinetics.cpp index 7bd3cbe74..dd01e524d 100755 --- a/Cantera/src/kinetics/GRI_30_Kinetics.cpp +++ b/Cantera/src/kinetics/GRI_30_Kinetics.cpp @@ -37,17 +37,17 @@ namespace Cantera { void GRI_30_Kinetics:: gri30_update_rates_T() { doublereal T = thermo().temperature(); - if (fabs(T - m_kdata->m_temp) > m_dt_threshold) { - doublereal logT = log(T); - m_kdata->m_logc_ref = m_kdata->m_logp_ref - logT; - update_rates(T, logT, &m_kdata->m_rfn[0]); - m_falloff_low_rates.update(T, logT, &m_kdata->m_rfn_low[0]); - m_falloff_high_rates.update(T, logT, &m_kdata->m_rfn_high[0]); - m_falloffn.updateTemp(T, &m_kdata->falloff_work[0]); - m_kdata->m_temp = T; - gri30_updateKc(); - m_kdata->m_ROP_ok = false; - } + //if (fabs(T - m_kdata->m_temp) > m_dt_threshold) { + doublereal logT = log(T); + m_kdata->m_logc_ref = m_kdata->m_logp_ref - logT; + update_rates(T, logT, &m_kdata->m_rfn[0]); + m_falloff_low_rates.update(T, logT, &m_kdata->m_rfn_low[0]); + m_falloff_high_rates.update(T, logT, &m_kdata->m_rfn_high[0]); + m_falloffn.updateTemp(T, &m_kdata->falloff_work[0]); + m_kdata->m_temp = T; + gri30_updateKc(); + m_kdata->m_ROP_ok = false; + //} }; diff --git a/Cantera/src/kinetics/GasKinetics.cpp b/Cantera/src/kinetics/GasKinetics.cpp index caa07a288..4633a08ee 100755 --- a/Cantera/src/kinetics/GasKinetics.cpp +++ b/Cantera/src/kinetics/GasKinetics.cpp @@ -38,7 +38,6 @@ namespace Cantera { Kinetics(), m_kk(0), m_nfall(0), - m_dt_threshold(0.0), // 1.e-6), m_nirrev(0), m_nrev(0), m_finalized(false) @@ -49,8 +48,8 @@ namespace Cantera { m_rxnstoich = new ReactionStoichMgr; } - GasKinetics:: - ~GasKinetics() {delete m_kdata; delete m_rxnstoich;} + GasKinetics:: + ~GasKinetics() {delete m_kdata; delete m_rxnstoich;} /** * Update temperature-dependent portions of reaction rates and @@ -66,17 +65,16 @@ namespace Cantera { _update_rates_T() { doublereal T = thermo().temperature(); m_kdata->m_logStandConc = log(thermo().standardConcentration()); - if (fabs(T - m_kdata->m_temp) > 0.0) { // m_dt_threshold) { - doublereal logT = log(T); - //m_kdata->m_logp0 - logT; - m_rates.update(T, logT, &m_kdata->m_rfn[0]); - m_falloff_low_rates.update(T, logT, &m_kdata->m_rfn_low[0]); - m_falloff_high_rates.update(T, logT, &m_kdata->m_rfn_high[0]); - m_falloffn.updateTemp(T, &m_kdata->falloff_work[0]); - m_kdata->m_temp = T; - updateKc(); - m_kdata->m_ROP_ok = false; - } + //if (fabs(T - m_kdata->m_temp) > 0.0) { + doublereal logT = log(T); + m_rates.update(T, logT, &m_kdata->m_rfn[0]); + m_falloff_low_rates.update(T, logT, &m_kdata->m_rfn_low[0]); + m_falloff_high_rates.update(T, logT, &m_kdata->m_rfn_high[0]); + m_falloffn.updateTemp(T, &m_kdata->falloff_work[0]); + m_kdata->m_temp = T; + updateKc(); + m_kdata->m_ROP_ok = false; + //} }; diff --git a/Cantera/src/kinetics/GasKinetics.h b/Cantera/src/kinetics/GasKinetics.h index 777f48921..2ee57ca84 100755 --- a/Cantera/src/kinetics/GasKinetics.h +++ b/Cantera/src/kinetics/GasKinetics.h @@ -60,11 +60,11 @@ namespace Cantera { bool m_ROP_ok; doublereal m_temp; - vector_fp m_rfn; - vector_fp falloff_work; - vector_fp concm_3b_values; - vector_fp concm_falloff_values; - vector_fp m_rkcn; + array_fp m_rfn; + array_fp falloff_work; + array_fp concm_3b_values; + array_fp concm_falloff_values; + array_fp m_rkcn; }; @@ -78,8 +78,9 @@ namespace Cantera { class GasKinetics : public Kinetics { public: + /** - * @name Constructors and General Information about Mechanism + * @name Constructors and General Information */ //@{ /// Constructor. @@ -113,6 +114,7 @@ namespace Cantera { updateROP(); std::copy(m_kdata->m_ropf.begin(), m_kdata->m_ropf.end(), fwdROP); } + /** * Reverse rates of progress. * Return the reverse rates of progress in array revROP, which @@ -123,6 +125,7 @@ namespace Cantera { updateROP(); std::copy(m_kdata->m_ropr.begin(), m_kdata->m_ropr.end(), revROP); } + /** * Net rates of progress. Return the net (forward - reverse) * rates of progress in array netROP, which must be @@ -144,27 +147,24 @@ namespace Cantera { virtual void getEquilibriumConstants(doublereal* kc); /** - * Return the vector of values for the reaction gibbs free energy + * Return the array of values for the reaction gibbs free energy * change. - * These values depend upon the concentration - * of the solution. + * These values depend on the species concentrations. * * units = J kmol-1 */ virtual void getDeltaGibbs( doublereal* deltaG); /** - * Return the vector of values for the reactions change in - * enthalpy. - * These values depend upon the concentration - * of the solution. + * Return the array of values for the reaction enthalpy change. + * These values depend upon the species concentrations. * * units = J kmol-1 */ virtual void getDeltaEnthalpy( doublereal* deltaH); /** - * Return the vector of values for the reactions change in + * Return the array of values for the reactions change in * entropy. * These values depend upon the concentration * of the solution. @@ -174,19 +174,19 @@ namespace Cantera { virtual void getDeltaEntropy(doublereal* deltaS); /** - * Return the vector of values for the reaction - * standard state gibbs free energy change. - * These values don't depend upon the concentration - * of the solution. + * Return the array of values for the reaction + * standard state Gibbs free energy change. + * These values do not depend on the species + * concentrations. * * units = J kmol-1 */ virtual void getDeltaSSGibbs(doublereal* deltaG); /** - * Return the vector of values for the change in the + * Return the array of values for the change in the * standard state enthalpies of reaction. - * These values don't depend upon the concentration + * These values do not depend upon the concentration * of the solution. * * units = J kmol-1 @@ -194,9 +194,9 @@ namespace Cantera { virtual void getDeltaSSEnthalpy(doublereal* deltaH); /** - * Return the vector of values for the change in the + * Return the array of values for the change in the * standard state entropies for each reaction. - * These values don't depend upon the concentration + * These values do not depend upon the concentration * of the solution. * * units = J kmol-1 Kelvin-1 @@ -216,7 +216,7 @@ namespace Cantera { * wdot, which must be dimensioned at least as large as the * total number of species. * - * @param net Vector of species production rates. + * @param net Array of species production rates. * units kmol m-3 s-1 */ virtual void getNetProductionRates(doublereal* net) { @@ -314,19 +314,10 @@ namespace Cantera { */ //@{ - - /** - * Set delta T threshold for updating temperature-dependent - * rates. - */ - void setRateUpdateThreshold(doublereal dt) { - m_dt_threshold = dt; - } - virtual void init(); /// Add a reaction to the mechanism. - void addReaction(const ReactionData& r); + virtual void addReaction(const ReactionData& r); virtual void finalize(); virtual bool ready() const; @@ -352,8 +343,7 @@ namespace Cantera { int m_kk, m_nfall; - vector_int m_fallindx; - doublereal m_dt_threshold; + array_int m_fallindx; Rate1 m_falloff_low_rates; Rate1 m_falloff_high_rates; @@ -389,16 +379,16 @@ namespace Cantera { * to account for the fact that we can have real-valued * stoichiometries. */ - vector_fp m_dn; - vector_int m_revindex; + array_fp m_dn; + array_int m_revindex; std::vector m_rxneqn; GasKineticsData* m_kdata; - vector_fp m_conc; + array_fp m_conc; void processFalloffReactions(); - vector_fp m_grt; + array_fp m_grt; private: diff --git a/Cantera/src/kinetics/Kinetics.h b/Cantera/src/kinetics/Kinetics.h index 5bc74be50..dc5a4d07e 100755 --- a/Cantera/src/kinetics/Kinetics.h +++ b/Cantera/src/kinetics/Kinetics.h @@ -780,7 +780,7 @@ namespace Cantera { * Add a single reaction to the mechanism. This routine * must be called after init() and before finalize(). * - * @param r Reference to the ReactionRate object for the reaction + * @param r Reference to the ReactionData object for the reaction * to be added. */ virtual void addReaction(const ReactionData& r) { diff --git a/Cantera/src/thermo/CMakeLists.txt b/Cantera/src/thermo/CMakeLists.txt index b6dc45f02..9ab718a90 100644 --- a/Cantera/src/thermo/CMakeLists.txt +++ b/Cantera/src/thermo/CMakeLists.txt @@ -1,10 +1,9 @@ -SET (CTTHERMO_SRCS State.cpp Elements.cpp Constituents.cpp Phase.cpp +SET (THERMO_SRCS State.cpp Elements.cpp Constituents.cpp Phase.cpp ThermoPhase.cpp IdealGasPhase.cpp ConstDensityThermo.cpp - SpeciesThermoFactory.cpp ConstCpPoly.cpp + SpeciesThermoFactory.cpp ConstCpPoly.cpp Nasa9Poly1.cpp + Nasa9PolyMultiTempRegion.cpp Mu0Poly.cpp GeneralSpeciesThermo.cpp SurfPhase.cpp - ThermoFactory.cpp phasereport.cpp StoichSubstance.cpp - PureFluidPhase.cpp LatticeSolidPhase.cpp LatticePhase.cpp) - -INCLUDE_DIRECTORIES (../base) - -ADD_LIBRARY(ctthermo ${CTTHERMO_SRCS}) + ThermoFactory.cpp phasereport.cpp SemiconductorPhase.cpp + StoichSubstance.cpp PureFluidPhase.cpp LatticeSolidPhase.cpp + LatticePhase.cpp) +ADD_LIBRARY(thermo ${THERMO_SRCS}) diff --git a/Cantera/src/thermo/ThermoFactory.h b/Cantera/src/thermo/ThermoFactory.h index 8a526ea1b..57e0312a4 100644 --- a/Cantera/src/thermo/ThermoFactory.h +++ b/Cantera/src/thermo/ThermoFactory.h @@ -24,7 +24,6 @@ #include #endif -//#include "SpeciesThermoFactory.h" #include "FactoryBase.h" namespace Cantera { diff --git a/ChangeLog b/ChangeLog index a349d3fff..b26e2ba32 100644 --- a/ChangeLog +++ b/ChangeLog @@ -1,3 +1,3711 @@ +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 @@ -783,8 +4491,12 @@ 2006-07-05 14:23 hkmoffa - * test_problems/min_python/Makefile.in: Added another test to add - coverage to the ctml to xml treatment of neg A coefficients. + * 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 @@ -2790,6 +6502,14 @@ * 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, @@ -2882,6 +6602,10 @@ * 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 @@ -7535,3 +11259,9 @@ 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/test_problems/surfkin/surface.xml b/test_problems/surfkin/surface.xml index df9b7eef0..1c5ff70d4 100644 --- a/test_problems/surfkin/surface.xml +++ b/test_problems/surfkin/surface.xml @@ -10,7 +10,7 @@ O H C - surf-* surf-H + surf_site surf_H @@ -25,7 +25,7 @@ - + open site @@ -46,7 +46,7 @@ - + surface H H:1 @@ -74,9 +74,9 @@ - H + surf-H [=] H2 + surf-* - H:1 surf-H:1 - H2:1 surf-*:1 + H + surf_H [=] H2 + surf_site + H:1 surf_H:1 + H2:1 surf_site:1 1.0E14 diff --git a/test_problems/surfkin/surfdemo.cpp b/test_problems/surfkin/surfdemo.cpp index 903c230c2..316fb6c9f 100644 --- a/test_problems/surfkin/surfdemo.cpp +++ b/test_problems/surfkin/surfdemo.cpp @@ -5,10 +5,13 @@ * site fractions. */ #include "Cantera.h" +#include + #include "IdealGasMix.h" #include "Interface.h" using namespace Cantera; +using namespace Cantera_CXX; using namespace std; using namespace Cantera_CXX; @@ -30,7 +33,8 @@ int main() { surf.getNetProductionRates(DATA_PTR(wdot)); int k; for (k = 0; k < gas.nSpecies(); k++) - cout << gas.speciesName(k) << " " << wdot[k] << endl; + cout << gas.speciesName(k) << " " << wdot[k] << endl; + for (k = 0; k < surf.nSpecies(); k++) cout << surf.speciesName(k) << " " << wdot[k+gas.nSpecies()] << endl;