research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions
4170 commits 2 branches 16 tags 37 MiB
Commit graph

66 commits

Author SHA1 Message Date
Ray Speth
49ff2c4dbf Fix to ignore duplicate third body efficiencies in ohn.cti 
Cherry-picked from 2.0 maintenance branch (r1911)
 2012-11-14 21:07:07 +00:00
Ray Speth
8c8ef2626a Removed broken / unused input files 2012-11-14 21:06:58 +00:00
Ray Speth
0901c8b25f Cleaned up formatting of liquidvapor.cti 2012-05-11 15:27:30 +00:00
Ray Speth
7676097b4a Removed execute permission from nonexecutable files 2012-03-13 17:32:41 +00:00
Ray Speth
7c171631af Merge branch 'scons' into 'trunk' 
Conflicts:
	Cantera/Makefile.in
	Cantera/clib/src/clib_defs.h
	Cantera/clib/src/ctreactor.cpp
	Cantera/clib/src/ctstagn.cpp
	Cantera/clib/src/ctstagn.h
	Cantera/cxx/Makefile.in
	Cantera/cxx/demos/combustor/combustor.cpp
	Cantera/cxx/demos/flamespeed/flamespeed.cpp
	Cantera/cxx/demos/kinetics1/example_utils.h
	Cantera/cxx/demos/kinetics1/kinetics1.cpp
	Cantera/cxx/include/Cantera.h
	Cantera/cxx/include/Cantera.mak.in
	Cantera/cxx/include/Cantera_bt.mak.in
	Cantera/cxx/include/Edge.h
	Cantera/cxx/include/GRI30.h
	Cantera/cxx/include/Interface.h
	Cantera/cxx/include/zerodim.h
	Cantera/fortran/f77demos/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/Makefile.in
	Cantera/matlab/cantera/Contents.m
	Cantera/matlab/setup_winmatlab.py
	Cantera/matlab/src/ctfunctions.cpp
	Cantera/matlab/src/ctmatutils.h
	Cantera/matlab/src/mixturemethods.cpp
	Cantera/matlab/src/mllogger.h
	Cantera/matlab/src/phasemethods.cpp
	Cantera/matlab/src/reactormethods.cpp
	Cantera/matlab/src/reactornetmethods.cpp
	Cantera/matlab/src/thermomethods.cpp
	Cantera/matlab/src/wallmethods.cpp
	Cantera/matlab/src/xmlmethods.cpp
	Cantera/python/Cantera/Edge.py
	Cantera/python/Cantera/Interface.py
	Cantera/python/Cantera/Phase.py
	Cantera/python/Cantera/importFromFile.py
	Cantera/python/Makefile.in
	Cantera/python/ctml_writer.py
	Cantera/python/setup.py.in
	Cantera/python/src/Makefile.in
	Cantera/python/src/ctkinetics_methods.cpp
	Cantera/python/src/ctonedim_methods.cpp
	Cantera/python/src/pylogger.h
	Cantera/src/Makefile.in
	Cantera/src/base/config.h.in
	Cantera/src/base/ctml.cpp
	Cantera/src/base/ctml.h
	Cantera/src/base/mdp_allo.cpp
	Cantera/src/base/mdp_allo.h
	Cantera/src/base/vec_functions.h
	Cantera/src/base/xml.cpp
	Cantera/src/base/xml.h
	Cantera/src/converters/CKParser.h
	Cantera/src/converters/Element.h
	Cantera/src/converters/Reaction.h
	Cantera/src/converters/RxnSpecies.h
	Cantera/src/converters/Species.h
	Cantera/src/converters/ckr_defs.h
	Cantera/src/converters/ckr_utils.h
	Cantera/src/equil/BasisOptimize.cpp
	Cantera/src/equil/Makefile.in
	Cantera/src/equil/MultiPhase.cpp
	Cantera/src/equil/vcs_MultiPhaseEquil.cpp
	Cantera/src/equil/vcs_VolPhase.cpp
	Cantera/src/equil/vcs_VolPhase.h
	Cantera/src/equil/vcs_linmaxc.cpp
	Cantera/src/equil/vcs_phaseStability.cpp
	Cantera/src/equil/vcs_rxnadj.cpp
	Cantera/src/equil/vcs_solve.cpp
	Cantera/src/equil/vcs_solve.h
	Cantera/src/equil/vcs_solve_TP.cpp
	Cantera/src/equil/vcs_util.cpp
	Cantera/src/equil/vcs_xerror.c
	Cantera/src/kinetics/GasKinetics.cpp
	Cantera/src/kinetics/GasKinetics.h
	Cantera/src/kinetics/InterfaceKinetics.cpp
	Cantera/src/kinetics/InterfaceKinetics.h
	Cantera/src/kinetics/Kinetics.h
	Cantera/src/kinetics/ReactionStoichMgr.h
	Cantera/src/kinetics/RxnRates.h
	Cantera/src/kinetics/StoichManager.h
	Cantera/src/numerics/BandMatrix.cpp
	Cantera/src/numerics/BandMatrix.h
	Cantera/src/numerics/DAE_Solver.h
	Cantera/src/numerics/DAE_solvers.cpp
	Cantera/src/numerics/DenseMatrix.cpp
	Cantera/src/numerics/DenseMatrix.h
	Cantera/src/numerics/FuncEval.h
	Cantera/src/numerics/IDA_Solver.cpp
	Cantera/src/numerics/IDA_Solver.h
	Cantera/src/numerics/Integrator.h
	Cantera/src/numerics/Makefile.in
	Cantera/src/numerics/NonlinearSolver.cpp
	Cantera/src/numerics/NonlinearSolver.h
	Cantera/src/numerics/ResidEval.h
	Cantera/src/numerics/ResidJacEval.cpp
	Cantera/src/numerics/ResidJacEval.h
	Cantera/src/numerics/SquareMatrix.cpp
	Cantera/src/numerics/SquareMatrix.h
	Cantera/src/numerics/ctlapack.h
	Cantera/src/oneD/Domain1D.h
	Cantera/src/oneD/OneDim.cpp
	Cantera/src/oneD/OneDim.h
	Cantera/src/oneD/Resid1D.h
	Cantera/src/oneD/Solid1D.cpp
	Cantera/src/oneD/Solid1D.h
	Cantera/src/oneD/StFlow.cpp
	Cantera/src/oneD/Surf1D.h
	Cantera/src/spectra/LineBroadener.h
	Cantera/src/thermo/Constituents.cpp
	Cantera/src/thermo/GibbsExcessVPSSTP.cpp
	Cantera/src/thermo/IonsFromNeutralVPSSTP.cpp
	Cantera/src/thermo/IonsFromNeutralVPSSTP.h
	Cantera/src/thermo/LatticePhase.cpp
	Cantera/src/thermo/LatticeSolidPhase.cpp
	Cantera/src/thermo/LatticeSolidPhase.h
	Cantera/src/thermo/Makefile.in
	Cantera/src/thermo/MargulesVPSSTP.cpp
	Cantera/src/thermo/MargulesVPSSTP.h
	Cantera/src/thermo/NasaThermo.h
	Cantera/src/thermo/PDSS_IonsFromNeutral.cpp
	Cantera/src/thermo/PDSS_IonsFromNeutral.h
	Cantera/src/thermo/PDSS_SSVol.cpp
	Cantera/src/thermo/Phase.cpp
	Cantera/src/thermo/PseudoBinaryVPSSTP.cpp
	Cantera/src/thermo/PseudoBinaryVPSSTP.h
	Cantera/src/thermo/PureFluidPhase.cpp
	Cantera/src/thermo/ShomateThermo.h
	Cantera/src/thermo/SimpleThermo.h
	Cantera/src/thermo/SpeciesThermoFactory.cpp
	Cantera/src/thermo/State.h
	Cantera/src/thermo/StoichSubstance.h
	Cantera/src/thermo/ThermoFactory.cpp
	Cantera/src/thermo/ThermoPhase.cpp
	Cantera/src/thermo/ThermoPhase.h
	Cantera/src/transport/AqueousTransport.cpp
	Cantera/src/transport/AqueousTransport.h
	Cantera/src/transport/DustyGasTransport.cpp
	Cantera/src/transport/DustyGasTransport.h
	Cantera/src/transport/L_matrix.h
	Cantera/src/transport/LiquidTransport.cpp
	Cantera/src/transport/LiquidTransport.h
	Cantera/src/transport/LiquidTransportData.h
	Cantera/src/transport/MMCollisionInt.cpp
	Cantera/src/transport/MMCollisionInt.h
	Cantera/src/transport/Makefile.in
	Cantera/src/transport/MixTransport.cpp
	Cantera/src/transport/MixTransport.h
	Cantera/src/transport/MultiTransport.cpp
	Cantera/src/transport/MultiTransport.h
	Cantera/src/transport/SimpleTransport.cpp
	Cantera/src/transport/SimpleTransport.h
	Cantera/src/transport/SolidTransport.cpp
	Cantera/src/transport/SolidTransport.h
	Cantera/src/transport/TransportBase.h
	Cantera/src/transport/TransportFactory.cpp
	Cantera/src/transport/TransportFactory.h
	Cantera/src/transport/TransportParams.h
	Cantera/src/transport/WaterTransport.h
	Cantera/src/zeroD/FlowDevice.h
	Cantera/src/zeroD/Reactor.h
	Cantera/src/zeroD/ReactorBase.cpp
	Cantera/src/zeroD/ReactorBase.h
	Cantera/src/zeroD/ReactorNet.h
	Cantera/src/zeroD/Wall.h
	Cantera/user/Makefile.in
	License.rtf
	Makefile.in
	apps/bvp/stagnation.cpp
	configure
	configure.in
	data/transport/misc_tran.dat
	docs/Makefile.in
	docs/install_examples/README.txt
	docs/install_examples/cygwin_gcc434_dbg_f2c_numpy.sh
	docs/install_examples/linux_64_gcc424_dbg_python252_numpy
	docs/install_examples/linux_64_gcc424_opt_python252_numpy
	docs/install_examples/mac_gcc401_python251_numpy
	docs/python/.cvsignore
	ext/Makefile.in
	ext/blas/Makefile.in
	ext/cvode/Makefile.in
	ext/f2c_blas/Makefile.in
	ext/f2c_lapack/Makefile.in
	ext/f2c_math/Makefile.in
	ext/f2c_math/xersve.c
	ext/f2c_recipes/Makefile.in
	ext/lapack/Makefile.in
	ext/math/Makefile.in
	ext/recipes/Makefile.in
	ext/tpx/CarbonDioxide.cpp
	ext/tpx/Makefile.in
	ext/tpx/Sub.cpp
	ext/tpx/utils.cpp
	preconfig
	test_problems/ChemEquil_gri_matrix/gri_matrix.cpp
	test_problems/ChemEquil_gri_pairs/gri_pairs.cpp
	test_problems/ChemEquil_ionizedGas/ionizedGasEquil.cpp
	test_problems/ChemEquil_ionizedGas/runtest
	test_problems/ChemEquil_red1/basopt_red1.cpp
	test_problems/CpJump/CpJump.cpp
	test_problems/Makefile.in
	test_problems/VCSnonideal/Makefile.in
	test_problems/VCSnonideal/NaCl_equil/HMW_NaCl.xml
	test_problems/VCSnonideal/NaCl_equil/nacl_equil.cpp
	test_problems/VPsilane_test/silane_equil.cpp
	test_problems/cathermo/DH_graph_1/DH_graph_1.cpp
	test_problems/cathermo/DH_graph_NM/DH_graph_1.cpp
	test_problems/cathermo/DH_graph_Pitzer/DH_graph_1.cpp
	test_problems/cathermo/DH_graph_acommon/DH_graph_1.cpp
	test_problems/cathermo/DH_graph_bdotak/DH_graph_1.cpp
	test_problems/cathermo/HMW_dupl_test/HMW_NaCl_sp1977_alt.xml
	test_problems/cathermo/HMW_dupl_test/HMW_dupl_test.cpp
	test_problems/cathermo/HMW_dupl_test/TemperatureTable.h
	test_problems/cathermo/HMW_dupl_test/sortAlgorithms.cpp
	test_problems/cathermo/HMW_dupl_test/sortAlgorithms.h
	test_problems/cathermo/HMW_graph_CpvT/HMW_NaCl_sp1977_alt.xml
	test_problems/cathermo/HMW_graph_CpvT/HMW_graph_CpvT.cpp
	test_problems/cathermo/HMW_graph_CpvT/TemperatureTable.h
	test_problems/cathermo/HMW_graph_CpvT/sortAlgorithms.cpp
	test_problems/cathermo/HMW_graph_CpvT/sortAlgorithms.h
	test_problems/cathermo/HMW_graph_GvI/HMW_NaCl.xml
	test_problems/cathermo/HMW_graph_GvI/HMW_graph_GvI.cpp
	test_problems/cathermo/HMW_graph_GvI/TemperatureTable.h
	test_problems/cathermo/HMW_graph_GvI/sortAlgorithms.cpp
	test_problems/cathermo/HMW_graph_GvI/sortAlgorithms.h
	test_problems/cathermo/HMW_graph_GvT/HMW_NaCl_sp1977_alt.xml
	test_problems/cathermo/HMW_graph_GvT/HMW_graph_GvT.cpp
	test_problems/cathermo/HMW_graph_GvT/TemperatureTable.h
	test_problems/cathermo/HMW_graph_GvT/sortAlgorithms.cpp
	test_problems/cathermo/HMW_graph_GvT/sortAlgorithms.h
	test_problems/cathermo/HMW_graph_HvT/HMW_NaCl_sp1977_alt.xml
	test_problems/cathermo/HMW_graph_HvT/HMW_graph_HvT.cpp
	test_problems/cathermo/HMW_graph_HvT/TemperatureTable.h
	test_problems/cathermo/HMW_graph_HvT/sortAlgorithms.cpp
	test_problems/cathermo/HMW_graph_HvT/sortAlgorithms.h
	test_problems/cathermo/HMW_graph_VvT/HMW_NaCl_sp1977_alt.xml
	test_problems/cathermo/HMW_graph_VvT/HMW_graph_VvT.cpp
	test_problems/cathermo/HMW_graph_VvT/TemperatureTable.h
	test_problems/cathermo/HMW_graph_VvT/sortAlgorithms.cpp
	test_problems/cathermo/HMW_graph_VvT/sortAlgorithms.h
	test_problems/cathermo/HMW_test_1/HMW_test_1.cpp
	test_problems/cathermo/HMW_test_3/HMW_test_3.cpp
	test_problems/cathermo/Makefile.in
	test_problems/cathermo/VPissp/ISSPTester.cpp
	test_problems/cathermo/ims/IMSTester.cpp
	test_problems/cathermo/issp/ISSPTester.cpp
	test_problems/cathermo/stoichSubSSTP/TemperatureTable.h
	test_problems/cathermo/stoichSubSSTP/sortAlgorithms.cpp
	test_problems/cathermo/stoichSubSSTP/sortAlgorithms.h
	test_problems/cathermo/stoichSubSSTP/stoichSubSSTP.cpp
	test_problems/cathermo/testIAPWS/testIAPWSphi.cpp
	test_problems/cathermo/testWaterPDSS/testWaterPDSS.cpp
	test_problems/cathermo/testWaterTP/testWaterSSTP.cpp
	test_problems/cathermo/wtWater/wtWater.cpp
	test_problems/ck2cti_test/Makefile.in
	test_problems/ck2cti_test/runtest.in
	test_problems/cxx_ex/Makefile.in
	test_problems/cxx_ex/equil_example1.cpp
	test_problems/cxx_ex/example_utils.h
	test_problems/cxx_ex/kinetics_example1.cpp
	test_problems/cxx_ex/kinetics_example2.cpp
	test_problems/cxx_ex/kinetics_example3.cpp
	test_problems/cxx_ex/runtest
	test_problems/cxx_ex/rxnpath_example1.cpp
	test_problems/cxx_ex/transport_example1.cpp
	test_problems/cxx_ex/transport_example2.cpp
	test_problems/min_python/Makefile.in
	test_problems/min_python/minDiamond/Makefile.in
	test_problems/min_python/negATest/negATest.cpp
	test_problems/mixGasTransport/runtest
	test_problems/nasa9_reader/Makefile.in
	test_problems/nasa9_reader/runtest.in
	test_problems/negATest/negATest.cpp
	test_problems/printUtilUnitTest/pUtest.cpp
	test_problems/pureFluidTest/testPureWater.cpp
	test_problems/silane_equil/silane_equil.cpp
	test_problems/surfkin/surfdemo.cpp
	tools/Makefile.in
	tools/bin/cvs2cl.pl
	tools/src/ck2cti.cpp
	tools/templates/f77/demo_ftnlib.cpp
	win32/vc7/Sundials/sundials/sundials_config.h
	win32/vc9/Sundials/SUNDIALS_SHARED/sundials_config.h
	winconfig.h
 2012-02-10 03:21:33 +00:00
Ray Speth
9e1fdfe39a Eliminated CVS keyword cruft 2012-01-09 17:32:01 +00:00
Ray Speth
71588d307d Remove files for Autotools and Visual Studio build systems 2011-12-14 19:38:10 +00:00
Ray Speth
ec0c45d8fb Removed some unused files 2011-12-14 19:35:40 +00:00
Harry Moffat
263aeb6b35 Added a new way to specify the kinetics reaction rate coefficient 
when dealing with electron transfer surface reactions.
This way specifies an exchange current density reaction rate coefficient
in units of amps / m2.  This is slightly more informative for 
electrode reactions. 

The new also preserves the correct treatment of activity coefficients
for these reactions. 

A memo describing this new capability is in the works.
 2010-03-01 18:14:07 +00:00
Harry Moffat
f85bf977e4 Copied changes from 1.8.0 branch to trunk. 
Changes in the mechanism to make the solution more numerically stable.
 2009-12-29 02:37:49 +00:00
Harry Moffat
06876f5ad5 Copied changes from 1.8.0 branch to trunk. 
Changes in the mechanism to make the solution more numerically stable.
 2009-12-29 02:37:30 +00:00
Harry Moffat
35e4c9ea45 Turned on Keyword substition in all files. 2009-11-09 23:36:49 +00:00
Harry Moffat
201117842e ignore list maintenance. 2009-07-29 15:22:58 +00:00
Harry Moffat
70647c85ed Initial Import 2009-07-27 23:17:19 +00:00
Harry Moffat
6749446397 Added an example of NaCl(S) in the MineralEQ3 format. 2008-12-27 00:30:59 +00:00
Harry Moffat
db3c4a592d Took out the value attribute if there isn't any data. 
This prevented a messy CanteraError throw.
 2008-09-26 23:09:46 +00:00
Harry Moffat
274b86da0d Fixed an xml error in elements.xml 2008-09-26 22:33:46 +00:00
Harry Moffat
a6894efa18 Checked in a full set of element entropies at 298 for elements in their 
standard states, along with a description of the source for the
values. This was done by Carlos Jove-Colon.

The database is needed to convert gibbs free energies of formation
for each species to species chemical potentials.
 2008-09-26 20:49:02 +00:00
Dave Goodwin
a1262bc6b0 *** empty log message *** 2008-02-13 05:36:27 +00:00
Harry Moffat
6bdbc1361d Added an xml file, silane.xml 2008-01-01 16:54:18 +00:00
Dave Goodwin
c438d5846f added spectroscopy support 2007-12-15 17:15:46 +00:00
Harry Moffat
9013398978 Added generated file to the ignore list 2007-10-19 17:11:51 +00:00
Harry Moffat
ebab5dfe87 Changed the makefile to use the BUILDBIN variable. The converter 
programs are no longer in ../bin.
 2007-10-19 16:59:09 +00:00
Harry Moffat
40e450ca8e This is now a created file. 2007-10-19 16:54:15 +00:00
Harry Moffat
eed1a2bd5f Minor formatting changes. 2007-10-19 16:48:58 +00:00
Harry Moffat
6c051e7acc Added files for NASA9 parameterization of air up to 20000K. The original 
data for these is in the thermo directory.
 2007-10-10 15:14:10 +00:00
Harry Moffat
051e030f7f Added an example of a NASA9 data file to the Cantera distribution 2007-10-10 14:59:18 +00:00
Harry Moffat
261ff18a7e Added some files that will not be put into the main cantera distribution 
until some licensing issues are resolved.
 2007-08-27 16:42:03 +00:00
Dave Goodwin
dafd2ad411 *** empty log message *** 2007-05-22 20:16:47 +00:00
Harry Moffat
7bdea0ffd8 Doxygen update 
Finished a draft of the File Tab within Doxygen. Each file now
has a link to the relevant modules and classes.
 2007-03-23 15:09:17 +00:00
Dave Goodwin
50ee030af3 *** empty log message *** 2006-11-08 01:36:24 +00:00
Dave Goodwin
5c13ab25c6 *** empty log message *** 2006-11-08 01:15:13 +00:00
Dave Goodwin
d1029224fb added mechanism for partial oxidation of methane on platinum from the Deutschmann group 2006-11-05 15:54:12 +00:00
Dave Goodwin
29825431df changes to support the classes for CO2 and heptane in tpx 2005-09-16 04:57:32 +00:00
Dave Goodwin
7c57748518 *** empty log message *** 2005-08-18 14:50:59 +00:00
Dave Goodwin
a33fac5990 *** empty log message *** 2005-06-25 05:28:53 +00:00
Dave Goodwin
9bd690ae04 Prerelease_1_6_0_branch merged into trunk 2005-06-18 16:58:39 +00:00
Dave Goodwin
a3b92eb61f added HFC134a 2005-01-14 13:41:37 +00:00
Dave Goodwin
3ecd3e3d82 added water.cti 2005-01-08 22:27:18 +00:00
Dave Goodwin
560cf632bf initial import 2004-12-02 16:48:57 +00:00
Dave Goodwin
2f6eb5c85a *** empty log message *** 2004-10-09 20:04:32 +00:00
Dave Goodwin
0909e6f508 *** empty log message *** 2004-10-09 19:41:09 +00:00
Dave Goodwin
6efd9ffc91 *** empty log message *** 2004-09-29 11:00:39 +00:00
Dave Goodwin
100c005abf *** empty log message *** 2004-05-23 17:43:28 +00:00
Dave Goodwin
adf3649ecd updated examples 2004-04-24 15:44:57 +00:00
Dave Goodwin
8792888330 *** empty log message *** 2004-04-22 21:44:35 +00:00
Dave Goodwin
52ea110888 *** empty log message *** 2004-03-12 11:44:04 +00:00
Dave Goodwin
59f5666c85 *** empty log message *** 2004-03-11 03:02:57 +00:00
Dave Goodwin
4f0c424fb7 *** empty log message *** 2004-02-22 17:10:05 +00:00
Dave Goodwin
2e6c5ad2a1 *** empty log message *** 2004-02-03 03:31:05 +00:00