research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions
3360 commits 2 branches 16 tags 37 MiB
Commit graph

58 commits

Author SHA1 Message Date
Ray Speth
00cfa9c7bd Fixed compilation problems generated by merging 2012-02-10 03:29:20 +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
afdf3fb2d1 Removed some empty comment lines 2012-01-19 20:30:04 +00:00
Ray Speth
1ff7c23860 Fixed signed/unsigned equality comparisons 2012-01-17 23:58:48 +00:00
Ray Speth
d4b4cec673 Fixed signed/unsigned comparison warnings in VCS Equilibrium solver 2012-01-17 04:13:11 +00:00
Ray Speth
f2bf17e1b7 Fixed some problems with the tests caused by the int to size_t conversion 2012-01-17 04:11:40 +00:00
Ray Speth
9470103bb2 Fixing compiler warnings, part 4 2012-01-17 04:11:20 +00:00
Ray Speth
255f1f9b9f Fixing compiler warnings, part 3 2012-01-17 04:10:43 +00:00
Ray Speth
9e1fdfe39a Eliminated CVS keyword cruft 2012-01-09 17:32:01 +00:00
Harry Moffat
5f73e33c9e Changed the algorithms a little bit to accomodate PhaseCombo, which 
doesn't have an ideal mixing term. This caused problems in places.
 2011-04-14 18:25:24 +00:00
Harry Moffat
f3bec02808 A reworking of the LatticePhase and LatticeSolidPhase classes. 2011-03-11 00:10:50 +00:00
Harry Moffat
8c4d47f59c Fixed an error in the phase stability calculation 2010-12-18 18:26:16 +00:00
Harry Moffat
13f151a358 Modification to the structure of solve_TP() 
Took the special case of SS species deletion in RxnStep and moved
it into the main routine. It now counts as an interation step.
I'm trying to simplify the structure of the program.
 2010-10-25 22:12:55 +00:00
Harry Moffat
300862c1e7 Working to implement a new phase Pop capability. The old one has been shown to have flaws in it. 
- End of incremental updates.
 2010-07-30 20:08:35 +00:00
Harry Moffat
72aa3cff01 Incremental update 2010-07-30 19:33:53 +00:00
Harry Moffat
5cf9a9faf9 Incremental update 2010-07-30 19:04:37 +00:00
Harry Moffat
0085115f0b Incremental update 2010-07-30 18:34:08 +00:00
Harry Moffat
43798deb62 Incremental update on solver. 
Changing some names
 2010-07-30 18:16:31 +00:00
Harry Moffat
9c6080e3c9 Turned on keyword substitution in the cpp files. 2009-12-09 17:50:27 +00:00
Harry Moffat
35e4c9ea45 Turned on Keyword substition in all files. 2009-11-09 23:36:49 +00:00
Harry Moffat
70647c85ed Initial Import 2009-07-27 23:17:19 +00:00
Harry Moffat
98fb3fb998 Fixed a warning message on solaris 2009-07-23 14:41:40 +00:00
Harry Moffat
ef278fc885 Significant Update to the Equilibrium Solver 
Added a capability to solve for the mathematical condition for the
birth of a multispecies phase. Added the logic into the algorithm.
 2009-01-22 22:27:07 +00:00
Harry Moffat
6b14e20620 Fixed a few features with phases consisting solely of electrons. 2009-01-20 19:02:28 +00:00
Harry Moffat
ff6aff01aa Changed old to new style headers. 2008-12-17 16:34:17 +00:00
Harry Moffat
68a22e2bd2 Added the fractionCreationDelta_ vector to the object 2008-10-23 19:34:28 +00:00
Harry Moffat
3ec48ac574 changed interface to vcs_volPhase to better conform to Cantera standards. 
Added the VCS_STATECALC_PHASESTABILITY flag
 2008-10-23 16:48:37 +00:00
Harry Moffat
58f21b664e Fixed some differences between const and non-const parameters. 2008-10-15 23:30:06 +00:00
Harry Moffat
d2358f1818 On the road to a better scheme for handling the deletion of 
multispecies phases.
 2008-08-18 23:17:18 +00:00
Harry Moffat
e72d7a7cf6 Working towards a more robust treatment of phase stability. 2008-08-17 21:19:04 +00:00
Harry Moffat
6f985cdc78 vcs_VolPhase update: Made more members private 2008-08-07 23:40:52 +00:00
Harry Moffat
0b6ccbcbef vcs_volPhase upgrade: more members are private 2008-08-01 16:05:38 +00:00
Harry Moffat
681a4aea6a vcs_VolPhase: Made more members private 2008-07-31 22:33:19 +00:00
Harry Moffat
e91bdbe60d Bug fixes related to deleting multispecies phases. 2008-07-25 20:12:05 +00:00
Harry Moffat
3df90ebff6 vcs_volPhase update: more members are private 2008-07-22 19:40:57 +00:00
Harry Moffat
081f98bdbd vcs_VolPhase upgrade: making more data private 2008-07-22 16:23:55 +00:00
Harry Moffat
7f28666169 vcs_VolPhase upgrade: more private data 2008-07-22 15:10:01 +00:00
Harry Moffat
f494e6ee78 vcs_Volphase update: eliminating more members and simplifying. 2008-07-03 23:24:04 +00:00
Harry Moffat
2fe5039614 vcs_volPhase update: Made more members private. 2008-06-27 16:33:49 +00:00
Harry Moffat
62133ce1b4 vcs_VolPhase update: Made more members private 2008-06-26 17:51:11 +00:00
Harry Moffat
85a55c7c44 vcs_VolPhase: made more member data private, and eliminated some unused 
member data
 2008-06-25 16:40:55 +00:00
Harry Moffat
2a07341974 vcs_VolPhase update: Made more functions private and/or const 2008-06-24 16:18:24 +00:00
Harry Moffat
ba49020585 vcs_VolPhase: incremental update to make more member data private. 2008-06-23 23:40:20 +00:00
Harry Moffat
2057b2007a Internal rearrangement of vcs_VolPhase to handle setState StateCalc concepts. 
(incremental)
 2008-06-20 16:17:46 +00:00
Harry Moffat
7a76bf5444 Incremental update to get vcs_volPhase to use setState and stateCalc 
concepts.
 2008-06-17 15:45:36 +00:00
Harry Moffat
0bd6ae596d Added stateCalc to some vcs_VolPhase functions. This is work in progress. 
deltaGrxn() is now always based on irxn index.
 2008-06-16 16:25:01 +00:00
Harry Moffat
045b4110e8 vcs_VolPhase updates to enable a more efficient StateCalc capability: 
incremental update that passes test suite.

task id# 1992186
 2008-06-12 20:45:20 +00:00
Harry Moffat
53fa07bbdc Another iteration with vcs_VolPhase: getting it to use private data, 
setState concept and StateCalc concepts.
 2008-06-12 16:00:36 +00:00
Harry Moffat
451520d238 Started to reorganize vcs_VolPhase to be more efficient. 2008-06-11 17:14:33 +00:00
Harry Moffat
ca3bc7c5be Added a isIdealSoln() capability to volphase object and then used it 
to reduce the amount of calculations.
 2008-05-16 16:31:12 +00:00