*** empty log message ***
This commit is contained in:
Dave Goodwin
parent
7d1cb660fe
commit
3c3f7d47ec
8 changed files with 168 additions and 32 deletions
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@ -198,10 +198,11 @@ namespace Cantera {
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dt = (u - intEnergy_mass())/cv_mass();
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if (dt > 100.0) dt = 100.0;
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else if (dt < -100.0) dt = -100.0;
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setTemperature(temperature() + 0.5*dt);
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if (fabs(dt) < tol) {
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setTemperature(temperature() + dt);
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return;
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}
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setTemperature(temperature() + 0.5*dt);
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}
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throw CanteraError("setState_UV",
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"no convergence. dt = " + fp2str(dt)+"\n"
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@ -217,10 +218,11 @@ namespace Cantera {
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dt = (s - entropy_mass())*temperature()/cp_mass();
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if (dt > 100.0) dt = 100.0;
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else if (dt < -100.0) dt = -100.0;
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setState_TP(temperature() + dt, p);
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if (fabs(dt) < tol) {
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setState_TP(temperature() + dt, p);
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return;
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}
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setState_TP(temperature() + 0.5*dt, p);
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}
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throw CanteraError("setState_SP","no convergence. dt = " + fp2str(dt));
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}
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@ -233,10 +235,11 @@ namespace Cantera {
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dt = (s - entropy_mass())*temperature()/cv_mass();
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if (dt > 100.0) dt = 100.0;
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else if (dt < -100.0) dt = -100.0;
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setTemperature(temperature() + dt);
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if (fabs(dt) < tol) {
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setTemperature(temperature() + dt);
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return;
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}
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setTemperature(temperature() + 0.5*dt);
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}
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throw CanteraError("setState_SV","no convergence. dt = " + fp2str(dt));
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}
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@ -709,19 +709,19 @@ namespace Cantera {
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/** Set the specific enthalpy (J/kg) and pressure (Pa). */
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virtual void setState_HP(doublereal h, doublereal p,
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doublereal tol = 1.e-8);
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doublereal tol = 1.e-4);
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/** Set the specific enthalpy (J/kg) and specific volume (m^3/kg). */
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virtual void setState_UV(doublereal u, doublereal v,
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doublereal tol = 1.e-8);
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doublereal tol = 1.e-4);
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/** Set the specific entropy (J/kg/K) and pressure (Pa). */
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virtual void setState_SP(doublereal s, doublereal p,
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doublereal tol = 1.e-8);
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doublereal tol = 1.e-4);
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/** Set the specific entropy (J/kg/K) and specific volume (m^3/kg). */
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virtual void setState_SV(doublereal s, doublereal v,
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doublereal tol = 1.e-8);
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doublereal tol = 1.e-4);
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//@}
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@ -70,6 +70,9 @@ namespace Cantera {
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*/
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const int domainIndex() { return m_index; }
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/**
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* True if the domain is a connector domain.
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*/
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bool isConnector() { return (m_type >= cConnectorType); }
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/**
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@ -166,7 +166,7 @@ namespace CanteraZeroD {
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mix.setTemperature(temp);
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if (m_energy) {
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m_thermo->setState_UV(u/mass,m_vol/mass);
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m_thermo->setState_UV(u/mass,m_vol/mass,1.0e-4);
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temp = mix.temperature(); //mix.setTemperature(temp);
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}
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//m_state[0] = temp;
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118
ChangeLog
118
ChangeLog
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@ -1,3 +1,121 @@
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2005-12-05 10:36 dggoodwin
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* Cantera/: matlab/cantera/examples/catcomb.m,
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python/Cantera/OneD/onedim.py, src/oneD/Domain1D.h,
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src/oneD/MultiNewton.cpp: minor changes
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2005-11-26 08:08 dggoodwin
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* configure, Cantera/clib/src/ctreactor.cpp,
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Cantera/python/Cantera/Reactor.py,
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Cantera/src/CVodesIntegrator.cpp,
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Cantera/src/zeroD/FlowReactor.h, Cantera/src/zeroD/ReactorBase.h,
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Cantera/src/zeroD/ReactorNet.cpp, Cantera/src/zeroD/ReactorNet.h,
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config/configure, config/configure.in,
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tools/templates/f77/demo.mak.in, tools/templates/f90/demo.mak.in:
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misc minor fixes
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2005-11-22 17:19 dggoodwin
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* Cantera/python/Cantera/ThermoPhase.py: fixed error in
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restoreState
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2005-11-22 09:59 dggoodwin
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* Cantera/cxx/demos/kinetics1.cpp, Cantera/src/FalloffFactory.cpp,
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Cantera/src/FalloffFactory.h, Cantera/src/GasKinetics.cpp,
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Cantera/src/Integrator.h, Cantera/src/KineticsFactory.cpp,
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Cantera/src/KineticsFactory.h,
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Cantera/src/SpeciesThermoFactory.cpp,
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Cantera/src/SpeciesThermoFactory.h,
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Cantera/src/SpeciesThermoMgr.h, Cantera/src/State.cpp,
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Cantera/src/StoichManager.h, Cantera/src/ThermoFactory.cpp,
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Cantera/src/ThermoFactory.h, Cantera/src/ThirdBodyMgr.h,
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Cantera/src/misc.cpp, Cantera/src/units.h,
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Cantera/src/utilities.h, Cantera/src/vec_functions.h,
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Cantera/src/transport/TransportFactory.cpp,
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Cantera/src/transport/TransportFactory.h,
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test_problems/silane_equil/Makefile.in,
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test_problems/surfkin/Makefile.in, tools/src/Makefile.in,
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tools/src/ctlibsample.mak.in, tools/src/sample.mak.in,
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tools/src/sample_f90.mak.in, tools/testtools/Makefile.in: changed
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some variable names to eliminate leading ddouble (and some
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single) underscores
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2005-11-22 05:23 dggoodwin
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* win32/vc7/cantera/cantera.vcproj: updated
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2005-11-18 00:21 dggoodwin
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* ext/tpx/Sub.cpp: added check in set_xy for density == Undef but T
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!= Undef. Failure to check for this condition had resulted in
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convergence to the wrong root for Hydrogen.
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2005-11-14 10:49 hkmoffa
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* Cantera/src/thermo/: Makefile.in, MolalityVPSSTP.cpp,
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MolalityVPSSTP.h, StoichSubstanceSSTP.h, VPStandardStateTP.cpp,
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VPStandardStateTP.h: Added a few more files to handle liquid
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electrochemistry thermo.
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2005-11-14 10:47 hkmoffa
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* Cantera/src/: ThermoPhase.h, ThermoPhase.cpp: Added two sets of
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functions One, InitThermoFromXML() and InitThermoFromFile()
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initializes ThermoPhase objects from XML data trees. The second
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set, which is incomplete, works to create a duplication
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capability for ThermoPhase objects, using the function,
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duplMyselfAsThermoPhase().
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2005-11-14 10:41 hkmoffa
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* Cantera/src/: Phase.cpp, Phase.h: Addec copy constructor and
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assignment operator.
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2005-11-13 03:15 dggoodwin
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* Cantera/src/: CVodesIntegrator.cpp, InterfaceKinetics.cpp,
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misc.cpp: removed some diagnostic output
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2005-11-10 07:06 dggoodwin
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* Cantera/src/: CVode.cpp, CVodesIntegrator.cpp,
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CVodesIntegrator.h, ChemEquil.cpp, EdgeKinetics.cpp,
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FalloffMgr.h, Func1.h, FuncEval.h, GRI_30_Kinetics.cpp,
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ImplicitChem.cpp, ImplicitChem.h, ImplicitSurfChem.cpp,
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ImplicitSurfChem.h, Integrator.h, Makefile.in, MultiPhase.cpp,
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NasaPoly1.h, NasaThermo.h, ODE_integrators.cpp, ReactionPath.cpp,
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ReactionPath.h, SpeciesThermoFactory.cpp, ThermoPhase.cpp,
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ctvector.h, misc.cpp, transport/SolidTransport.cpp,
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transport/TransportBase.h: support for sensitivity analysis
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2005-11-10 07:02 dggoodwin
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* Cantera/src/zeroD/: FlowReactor.h, FlowReactor.cpp: initial
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import
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2005-10-31 08:29 dggoodwin
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* Cantera/src/SimpleThermo.h: corrected bug that caused problems if
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this SpeciesThermo manager was used in conjunction with another
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one (e.g. NASA).
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2005-10-31 08:06 hkmoffa
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* Cantera/src/ChemEquil.cpp: Eliminated 2 unused variables.
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2005-10-28 21:22 dggoodwin
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* Cantera/matlab/cantera/gaussian.m: initial import
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2005-10-28 16:16 hkmoffa
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* Cantera/src/: GeneralSpeciesThermo.cpp,
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SpeciesThermoInterpType.h, thermo/SingleSpeciesTP.cpp: Added a
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virtual destructor for SpeciesThermoInterpType.h. Without it,
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there is a memory leak.
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2005-10-24 15:13 hkmoffa
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* Cantera/src/thermo/SingleSpeciesTP.cpp: Forgot the member
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25
config/configure
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25
config/configure
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@ -1584,8 +1584,10 @@ use_sundials=0
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sundials_inc=
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CVODE_LIBS='-lcvode'
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if test "$USE_SUNDIALS" = "default"; then
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ldsave=$LDFLAGS
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LDFLAGS='-L'$SUNDIALS_HOME/lib' '$ldsave
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fi
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ac_ext=c
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ac_cpp='$CPP $CPPFLAGS'
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@ -2518,23 +2520,30 @@ else
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fi
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LDFLAGS=$ldsave
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if test "x$USE_SUNDIALS" = "xy"; then
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if test use_sundials=1; then
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use_sundials=1
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fi
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if test ${use_sundials} = 1; then
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cat >>confdefs.h <<\_ACEOF
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#define HAS_SUNDIALS 1
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_ACEOF
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echo "using CVODES from SUNDIALS... Sensitivity analysis enabled."
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CVODE_LIBS='-lsundials_cvodes -lsundials_shared -lsundials_nvecserial'
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sundials_include='-I'${SUNDIALS_HOME}/include
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fi
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if test ${use_sundials} = 0; then
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echo "using CVODE... Sensitivity analysis disabled."
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echo "-> To enable sensitivity analysis, install the SUNDIALS package with CVODES."
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fi
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#########################################################
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# The Cantera Kernel
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#########################################################
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@ -4202,7 +4211,7 @@ fi
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# Provide some information about the compiler.
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echo "$as_me:4205:" \
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echo "$as_me:4214:" \
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"checking for Fortran 77 compiler version" >&5
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ac_compiler=`set X $ac_compile; echo $2`
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{ (eval echo "$as_me:$LINENO: \"$ac_compiler --version </dev/null >&5\"") >&5
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@ -4379,7 +4388,7 @@ _ACEOF
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# flags.
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ac_save_FFLAGS=$FFLAGS
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FFLAGS="$FFLAGS $ac_verb"
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(eval echo $as_me:4382: \"$ac_link\") >&5
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(eval echo $as_me:4391: \"$ac_link\") >&5
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ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'`
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echo "$ac_f77_v_output" >&5
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FFLAGS=$ac_save_FFLAGS
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@ -4459,7 +4468,7 @@ _ACEOF
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# flags.
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ac_save_FFLAGS=$FFLAGS
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FFLAGS="$FFLAGS $ac_cv_prog_f77_v"
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(eval echo $as_me:4462: \"$ac_link\") >&5
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(eval echo $as_me:4471: \"$ac_link\") >&5
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ac_f77_v_output=`eval $ac_link 5>&1 2>&1 | grep -v 'Driving:'`
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echo "$ac_f77_v_output" >&5
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FFLAGS=$ac_save_FFLAGS
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@ -4782,10 +4791,6 @@ F90BUILDFLAGS=${f90buildopts}' '${savef90flags}
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echo "objext = " $OBJEXT
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@ -241,21 +241,30 @@ use_sundials=0
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sundials_inc=
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CVODE_LIBS='-lcvode'
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if test "$USE_SUNDIALS" = "default"; then
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ldsave=$LDFLAGS
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LDFLAGS='-L'$SUNDIALS_HOME/lib' '$ldsave
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fi
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AC_CHECK_LIB(sundials_cvodes, CVodeCreate, [use_sundials=1], [use_sundials=0],\
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[-lsundials_shared -lsundials_nvecserial -lm])
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LDFLAGS=$ldsave
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if test "x$USE_SUNDIALS" = "xy"; then
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if test use_sundials=1; then
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use_sundials=1
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fi
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if test ${use_sundials} = 1; then
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AC_DEFINE(HAS_SUNDIALS)
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echo "using CVODES from SUNDIALS... Sensitivity analysis enabled."
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CVODE_LIBS='-lsundials_cvodes -lsundials_shared -lsundials_nvecserial'
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sundials_include='-I'${SUNDIALS_HOME}/include
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fi
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if test ${use_sundials} = 0; then
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echo "using CVODE... Sensitivity analysis disabled."
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echo "-> To enable sensitivity analysis, install the SUNDIALS package with CVODES."
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fi
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AC_SUBST(use_sundials)
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AC_SUBST(CVODE_LIBS)
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AC_SUBST(sundials_include)
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@ -775,13 +784,9 @@ AC_SUBST(F90)
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AC_SUBST(F90FLAGS)
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AC_SUBST(F90BUILDFLAGS)
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AC_OBJEXT
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AC_EXEEXT
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echo "objext = " $OBJEXT
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AC_SUBST(precompile_headers)
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AC_SUBST(CXX_DEPENDS)
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AC_SUBST(FLIBS)
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16
configure
vendored
16
configure
vendored
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@ -227,16 +227,18 @@ ENABLE_TPX='y'
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# CVODE comes with Cantera, but it is possible to use the latest
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# version as well, which now supports sensitivity analysis (CVODES).
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# CVODES is a part of the 'sundials' package from Lawrence Livermore
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# National Laboratory. Due to its size, sundials is not distributed
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# with Cantera, but it is free software that may be downloaded and
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# installed separately. If you have sundials, set USE_SUNDIALS to 'y',
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# and set SUNDIALS_HOME to the directory where you have installed
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# sundials. Note that sensitivity analysis with Cantera requires use
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# of sundials.
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# National Laboratory. Sundials is not distributed with Cantera, but
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# it is free software that may be downloaded and installed
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# separately. If you have sundials, set SUNDIALS_HOME to the directory
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# where it is installed, or else put the sundials libraries on the
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# library path. If you leave USE_SUNDIALS = 'default', then it will
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# be used if you have it, and if not the older CVODE will be used. Or
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# set USE_SUNDIALS to 'y' or 'n' to force using it or not. Note that
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# sensitivity analysis with Cantera requires use of sundials.
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#
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# See: http://www.llnl.gov/CASC/sundials
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#
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USE_SUNDIALS='y'
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USE_SUNDIALS='default'
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SUNDIALS_HOME='/usr/local/sundials'
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