research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions
6998 commits 2 branches 16 tags 37 MiB
Commit graph

1613 commits

Author SHA1 Message Date
Ray Speth
dac5345b56 [Base] Move CANTERA_DATA environment variable up in search path 
The paths added from the CANTERA_DATA environment variable should be searched
before hard-coded paths which are determined based on the installation location.
 2016-07-29 11:30:56 -04:00
Ray Speth
f733fac104 [Kinetics] Deprecate InterfaceKinetics::checkPartialEquil 2016-07-28 22:38:05 -04:00
Ray Speth
a8bf1aa628 [Kinetics] Remove unused members of InterfaceKinetics 2016-07-28 22:38:05 -04:00
Ray Speth
7f121a9270 [Reactor] Use setCoveragesNoNorm when evaluating ReactorSurface 2016-07-28 22:38:05 -04:00
Ray Speth
1e5eb8c871 [Kinetics] Add option for Motz & Wise correction to sticking reactions 2016-07-28 18:38:40 -04:00
Ray Speth
593ab8a573 [Kinetics] Refactor handling of sticking reactions 2016-07-28 11:52:46 -04:00
Ray Speth
908e620325 [SCons] Generate versioned shared objects for cantera_shared.so 
See #318.
 2016-07-25 14:42:45 -04:00
Ray Speth
9b318f3c90 [SCons] Always link cantera_shared to its dependencies 
This is not strictly required on Linux, but it doesn't hurt.

See #318.
 2016-07-25 14:42:45 -04:00
Ray Speth
9a309ee410 [Equil] Deprecate some unused VCS-related functions 2016-07-22 13:51:29 -04:00
Ray Speth
ba3a0ee3e9 [Equil] Deprecate broken version of VCS phase stability check feature 
Resolves #331.
 2016-07-22 13:51:16 -04:00
Ray Speth
e2d7e178b3 [SCons/Matlab] Link statically to libstdc++ on Linux 
Matlab 2016a now uses some C++11 features, and symbols included in some of the
Matlab libraries conflict with the versions from system libraries that Cantera
is compiled with and expects to find, resulting in difficult-to-diagnose memory
errors.
 2016-07-13 17:11:34 -04:00
Ray Speth
0d7cc10f99 [Doc] Fix some Doxygen warnings 2016-07-07 23:37:03 -04:00
Ray Speth
bd8a5d0bc9 [Transport] Replace numerical constants for Transport types with strings 2016-07-07 22:52:25 -04:00
Ray Speth
45099255de Deprecate Factory pointer argument to "newFoo" convenience functions 2016-07-07 21:36:11 -04:00
Ray Speth
7f21aa0f45 [Kinetics] Replace numerical constants for Kinetics types with strings 2016-07-07 21:36:11 -04:00
Ray Speth
3b0cf9f832 [Thermo] Make SSVolume_Model_enumType local to class PDSS_SSVol 2016-07-07 21:36:11 -04:00
Ray Speth
0f71bbcec5 [Thermo] Replace numerical constants for ThermoPhase types with strings 
Deprecate ThermoPhase::eosType and related methods
 2016-07-07 21:36:11 -04:00
Ray Speth
0de6c01384 [Thermo] Deprecate numerical constants for PDSS types 2016-07-05 23:01:14 -04:00
Ray Speth
39c234ac4b [Thermo] Deprecate numerical constants for VPSSMgr types 2016-07-05 22:49:56 -04:00
Ray Speth
62524e8820 [Equil/Test] Fix failures involving use of global variables 
Direct use of "global" variables defined in the shared library results in
inconsistent behavior.
 2016-07-05 17:12:13 -04:00
Ray Speth
d4ddabc76c Use system-installed version of fmt library if available 
Resolves #348.
 2016-07-05 14:17:01 -04:00
Ray Speth
f985169e93 Introduce basic registration capabilities for factories 2016-07-04 16:01:31 -04:00
Ray Speth
64bb049647 [Numerics] Handle zero-size timestep in CVodesIntegrator::advance 
This permits simpler integration loops starting from t=0
 2016-07-04 16:01:31 -04:00
Ray Speth
cd958a343b [1D] Make better use of local variables 2016-06-28 17:35:40 -04:00
Ray Speth
ce9a17fb76 [Reactor] Make better use of local variables 2016-06-28 16:58:51 -04:00
Ray Speth
4b8f8b692a [Reactor] Deprecate Wall-based method for adding surface chemistry 
The new method using class ReactorSurface should be used instead.
 2016-06-28 14:37:59 -04:00
Ray Speth
a7aec575a9 [Matlab] Make ReactorSurface available in Matlab 2016-06-28 14:37:59 -04:00
Ray Speth
3f766370b9 [Reactor] Add ReactorSurface to simplify use of surface reactions 
This separates the handling of interactions between reactors (mediated by
Wall objects) and surfaces on which surface reactions occur (handled by
ReactorSurface). This simplifies the implementation within reactor, and
reduces the complexity of user code involving surface reactions by
eliminating the need to set up a Reservoir object for the opposite side
of a Wall object that is only being used for surface reactions.
 2016-06-28 14:16:18 -04:00
Ray Speth
a8c6fe09d9 [Transport] Make better use of local variables 2016-06-27 17:11:00 -04:00
Ray Speth
fd4cbb8718 [Doc] Fix spelling errors 2016-06-27 14:30:49 -04:00
Ray Speth
668634c969 [Thermo] Deprecate classes tpx::leekesler and tpx::RedlichKwong 
These are implementations of tpx::Substance which cannot actually be
instantiated from within the PureFluidPhase wrapper class.

The broken implementation of a CTML class for redlich_kwong is removed here.

A functional implementation of the Redlich-Kwong equation of state remains in
class RedlichKwongMFTP.

Resolves #263
 2016-06-26 20:31:48 -04:00
Ray Speth
e41a667dba Remove unused scripts from build system 2016-06-23 17:18:49 -04:00
Ray Speth
2c005759b7 [Thermo] Combine SpeciesThermo and GeneralSpeciesThermo 
The new class is named MultiSpeciesThermo, so that (eventually) the name
SpeciesThermo can be used for the single-species class SpeciesThermoInterpType.

Currently, trivial wrappers for classes named SpeciesThermo and
GeneralSpeciesThermo to maintain backwards compatibiity for Cantera 2.3.
 2016-06-23 17:00:15 -04:00
Ray Speth
3d6368b70a [Thermo] Deprecate unused SpeciesThermoInterpType methods 
Deprecate modifyParameters and the default constructor for all classes
derived from SpeciesThermoInterpType.
 2016-06-23 13:45:51 -04:00
Ray Speth
b7e1a5f0bd [Transport] Use correct scaling factor when fitting conductivity 
Fixes #345
 2016-06-20 19:07:56 -04:00
Ray Speth
df43a474cd [SCons] Modify build system to exclude unused Fortran and f2c code 
Cantera no longer requires BLAS / LAPACK (but can use them if available), so it
is never necessary to compile any of the external Fortran or f2c-converted code.
 2016-05-14 22:00:22 -04:00
Ray Speth
efb068e319 [Numerics] Modify polyfit to use Eigen instead of fortran/f2c code 2016-05-14 22:00:22 -04:00
Ray Speth
799695f0de Disable SquareMatrix LAPACK operations when LAPACK is not available 
Because SquareMatrix is unused within Cantera and deprecated, it is not
necessary to implement alternatives for these functions.
 2016-05-14 22:00:22 -04:00
Ray Speth
01d3679664 [Numerics] Deprecate matrix-type argument to GeneralMatrix 2016-05-14 22:00:22 -04:00
Ray Speth
f260e858c0 [Numerics] Deprecate class SquareMatrix 2016-05-14 22:00:22 -04:00
Ray Speth
a7d854f3b9 [Equil] Eliminate direct calls to LAPACK functions 2016-05-14 21:59:27 -04:00
Ray Speth
961ca06cd5 Eliminate the use of SquareMatrix in favor of DenseMatrix 2016-05-14 21:59:27 -04:00
Ray Speth
b49c2e4c2d [Numerics] Use Eigen instead of internal LAPACK for DenseMatrix operations 2016-05-14 21:56:17 -04:00
Ray Speth
41ae065a6e Use Sundials to solve BandMatrix instead of using internal LAPACK 2016-05-14 21:56:17 -04:00
Ray Speth
efe43b389e [1D] Add callback hooks to make debugging 1D solver easier 
This allows one to define functions in Python which will be called after each
successful time step or steady state solve, from which the state of the solver
can be inspected.
 2016-05-14 17:24:16 -04:00
Ray Speth
920ff1d897 [Kinetics] Make better use of local variables 2016-05-12 16:33:33 -04:00
Ray Speth
fc33778451 Use correct value for gas constant 
Even if it's just for part of an initial guess
 2016-05-10 22:16:46 -04:00
Ray Speth
46684646ee [Thermo] DebyeHuckel::_nonpolarActCoeff is a static method 
Definition now corresponds to documentation
 2016-05-10 22:13:43 -04:00
Ray Speth
94be25ae97 Remove duplicate definitions of LTPerror and LTPmodelError 2016-05-10 22:10:49 -04:00
Ray Speth
812290dc37 [Thermo] Deprecate ThermoPhase::installSlavePhases 
For the only class in which this is used (LatticeSolidPhase), all initialization
can be performed in the initThermo method.
 2016-05-10 20:20:35 -04:00