Commit graph

965 commits

Author SHA1 Message Date
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
4e23793ebd Update fmt to version 3.0.0 and fix compatibility issues
Resolves #349.
2016-07-05 13:52:46 -04:00
Ray Speth
f985169e93 Introduce basic registration capabilities for factories 2016-07-04 16:01:31 -04:00
Ray Speth
b26b8c4bab [Doc] Correct documentation relating to species "size" 2016-06-29 16:36:47 -04:00
Ray Speth
b31e9a1bf1 Miscellaneous cleanup 2016-06-28 18:03:04 -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
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
fd4cbb8718 [Doc] Fix spelling errors 2016-06-27 14:30:49 -04:00
Ray Speth
a338610934 [Thermo] Correct docstring for ThermoPhase::initThermoFile 2016-06-24 23:14:17 -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
c64b714386 [Reactor] Add flow-device-specific methods for setting coefficients 2016-06-23 11:53:20 -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
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
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
bf67cce25f [SCons] Make Eigen available to Cantera
Check for a system copy of Eigen, and if that is not found, install
Eigen's headers with the Cantera headers. Add the header 'eigen_dense.h'
to provide a single header to include from other locations.
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
11db445caf [Thermo/Doc] Explain why Phase::setMolecularWeight exists 2016-05-14 16:43:35 -04:00
Ray Speth
14b9454819 [C++] Clean up of top-level headers
These headers should only include general functionality, i.e. base classes and
factory methods. Users working directly with derived types can include the
relevant headers directly.

Deprecate some top-level headers which are not really useful.
2016-05-14 16:10:10 -04:00
Ray Speth
77e6f9c0d0 Deprecate Array2D::axpy 2016-05-10 22:21:28 -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
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
Ray Speth
491816f706 [Thermo] Remove overload IdealSolidSolnPhase::logStandardConc 2016-05-10 18:33:41 -04:00
Ray Speth
8ff82c06ce [Reactor] Add componentName function to ReactorNet and Reactor classes 2016-05-09 22:42:45 -04:00
Ray Speth
cf13b318f4 [Reactor] Implement enthalpy of formation sensitivity analysis 2016-05-08 18:24:14 -04:00
Ray Speth
4eea27b0a4 Update cppformat (now fmt)
Update to current master (pre-3.0), and change remote repository to reflect name
change from cppformat to fmt. Needed to be updated now because one of the
submodules referenced in the 1.1.0 release no longer exists due to the change in
the Github organization name from cppformat to fmtlib.
2016-05-03 15:03:52 -04:00
Ray Speth
ca2a330d5f [XML] Include file name in XML-related errors
Resolves #40
2016-05-03 15:03:51 -04:00
Ray Speth
6003af01a3 [XML] Add version of XML_Node::build that takes file name directly 2016-05-03 15:03:51 -04:00
Ray Speth
c7a1a57fbd [Reactor] Eliminate re-ordering of sensitivity parameters
Passing the full parameter vector to evalEqs for each reactor and wall
eliminates the need to re-order the parameter vector. Instead, each reactor and
wall just needs to know the indices of its sensitivity parameters, which are now
returned by ReactorNet::registerSensitivityReaction.
2016-05-01 20:35:34 -04:00
Ray Speth
0e2ea0964b [Thermo] Add function 'resetHf298'
Using this instead of modifyHf298 to reset the thermo data to its original
state avoids round-off errors that otherwise make modifications to the
species thermo data irreversible.
2016-04-30 16:43:37 -04:00
Ray Speth
0f669153fb [Thermo] Remove unnecessary overrides of modifyOneHf298SS 2016-04-30 16:43:37 -04:00
Ray Speth
032bb9c363 [Reactor] Move sensitivity parameter vector into FuncEval
This eliminates the need for class FuncData, and makes it possible to
introduce sensitivity parameters which have a nominal values other than 1.0.
2016-04-19 16:08:52 -04:00
Ray Speth
51b0e46277 [Thermo] ThermoPhase::modifyOneHf298SS always invalidates cached data 2016-04-18 22:20:06 -04:00
Ray Speth
3566542c0b [Equil] Replace PropertyCalculator with simple lambdas 2016-04-18 20:29:02 -04:00
Ray Speth
f4ad150905 [1D] Sim1D::setProfile checks range of position array 2016-04-18 20:00:15 -04:00
Ray Speth
6a928b57f9 Replace getValue with std::map.at where possible
Deprecate the two-argument version of getValue, since the C++11 at method does
the same thing.
2016-04-18 19:34:40 -04:00
Ray Speth
6e3812a828 [Thermo] Remove unnecessary temporary work vectors 2016-04-18 17:52:08 -04:00