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Author SHA1 Message Date
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
Ray Speth
9e9ae783f8 Don't use a vector where a scalar will suffice 2016-04-18 15:36:23 -04:00
Ray Speth
336271c395 [Doc] Clean up redundant "@return returns ..." 2016-04-18 14:58:15 -04:00
Ray Speth
a026c6ad8b [Thermo] Add compatibility check for phases added to MultiPhase 
PureFluidPhase and WaterSSTP are not compatible with MultiPhase since they are
already multi-phase mixtures.

Resolves #306
 2016-04-18 14:40:28 -04:00
Ray Speth
32b3543cbe [Thermo] Introduce Phase::compositionChanged 
This function is called after any change in composition, and can be used by
phases to update quantities that are affected by the composition change, instead
of needing to overload all of the different functions which update the
composition.
 2016-04-17 23:58:34 -04:00
Ray Speth
ac2361ee53 [Thermo] Deprecate IdealSolidSolnPhase::referenceConcentration 2016-04-17 22:49:28 -04:00
Ray Speth
994c9d1afb [CTML] Deprecate addInteger and CTML_Version 2016-04-16 23:55:51 -04:00
Ray Speth
56f49ef444 Miscellaneous jargon cleanup 2016-04-16 22:32:49 -04:00
Ray Speth
80fcc92129 [Thermo] Deprecated constructPhaseFile and constructPhaseXML methods 
These methods were only defined for HMWSoln and IonsFromNeturalVPSSTP, and just
do the same thing as initThermoFile and importPhase (respectively).
 2016-04-16 22:08:39 -04:00
Ray Speth
111b4909c9 [Thermo] Deprecate class SemiconductorPhase 
Can't be constructed from ThermoFactory, and constructor from file is not
implemented. Also, the getChemPotentials method uses the m_work array, which is
never initialized because the private method initLengths() is never called.

See #267
 2016-04-16 21:06:49 -04:00
Ray Speth
f583bd4530 [Doc] Convert HTML tags to Markdown in Doxygen docs 2016-04-16 20:58:38 -04:00
Ray Speth
aa3780b094 [Thermo] Reference source of formula used in WaterPropsIAPWS::psat_est 2016-04-16 17:44:09 -04:00
Ray Speth
af19481b65 [Doc] Remove some incorrect copy/pasted docstrings 2016-04-16 17:26:49 -04:00
Ray Speth
9c907af1b8 [Python] Add ThermoPhase.set_equivalence_ratio 2016-04-16 16:22:06 -04:00
Ray Speth
1ba5f6b879 [Kinetics] Allow adding species after reactions for homogeneous kinetics 
This enables incremental mechanism construction for gas phase kinetics. For
surface kinetics, adding new species changes the kinetics species index of
existing species in other phases, so this feature is disabled.
 2016-04-16 11:52:08 -04:00
Ray Speth
9c4a0baa55 [Thermo] Simplify adding species for most phase types 
Where possible, extend arrays as species are added rather than requiring a
later call to initThermo(). For phases that do not require any data except
that which is included in the Species objects themselves (notably, this
includes IdealGasPhase), species can now be added dynamically without
affecting the phase state.
 2016-04-15 20:56:24 -04:00
Ray Speth
7ee47585ae [Test] Fix compiler warnings in tests 2016-04-15 17:33:11 -04:00
Ray Speth
1f231d1dd0 [Kinetics] Eliminate need for 'finalize' method 
All reaction-sized arrays are now allocated as reactions are added, which means
that the finalize() method is unnecessary and reactions can be continuously
added, even after the Kinetics object has been used for rate calculations.
 2016-04-15 17:05:10 -04:00
Ray Speth
4428a62f3c [Thermo] Add ability to modify species data for existing Phase objects 2016-04-15 15:32:38 -04:00
Ray Speth
13fa0c7a4f Add invalidateCache() function to ThermoPhase and Kinetics 
This can be used to invalidate cached data after a change to underlying data
such as species thermo coefficients or reaction rate coefficients. Needs to be
user-accessible so that dependent objects can be updated manually.
 2016-04-15 15:32:38 -04:00
Ray Speth
eda9fc8f23 [Equil] Add vcs_VolPhase::eos_name; deprecate string16_EOSType 2016-04-15 15:31:23 -04:00
Ray Speth
5bf57795fc [Doc] Add slicing and dict-based compositions to Python tutorial 2016-04-15 13:00:48 -04:00
Ray Speth
fb346d85bc [Doc] Add detailed descriptions to classes ChebyshevRate and Plog 
The descriptions are essentially taken from the CTI guide (reactions.rst)
 2016-04-15 12:31:19 -04:00
Ray Speth
7124385292 [Test] Make deprecation warnings fatal in test suites 
This ensures that deprecated methods aren't being called anywhere in the test
suite, without having to manually scan the test output for warning messages.
 2016-04-15 12:04:08 -04:00
Ray Speth
9a848fbd0e [Equil] Deprecate unused internal VCS functions 2016-04-14 23:29:33 -04:00
Ray Speth
70824559ce [Test/Equil] Update tests to sometimes use VCS 'estimate_equil' option 2016-04-14 21:51:53 -04:00
Ray Speth
ef441e4182 [CTML] Deprecate getFloatDefaultUnits 
This function is unnecessarily complicated and rarely needed.
 2016-04-14 19:41:44 -04:00
Ray Speth
a288d5c6f7 [1D] Make Jacobian atol independent of compiler optimizations 
If compiling with -funsafe-math-optimizations, this method of attempting to
calculate the floating point epsilon value would fail.
 2016-04-14 19:00:00 -04:00
Ray Speth
f2b68d8c34 [Examples] General cleanup of C++ flamespeed example 2016-04-14 15:31:50 -04:00
Ray Speth
b50ef03838 [Examples] Update C++ flamespeed to use current best-practices 
Wider, uniform initial grid; initial profiles with zero-gradient section
on both ends of the domain; skip initial fixed-temperature solve.
 2016-04-14 15:31:49 -04:00
Ray Speth
c0c9a4ef31 [Test] Add more tests of DenseMatrix 2016-04-13 21:11:05 -04:00
Ray Speth
7af1b4b60f [Numerics] Fix invalid memory access in DenseMatrix increment 
This method now works for rectangular matrices
 2016-04-13 21:11:05 -04:00
Ray Speth
bd24aeb926 [Numerics] Fix DenseMatrix::mult to work for rectangular matrices 2016-04-13 21:11:05 -04:00
Ray Speth
b94e272291 [Numerics] Fix invalid memory access in DenseMatrix::mult 
Results were incorrect for rectangular matrices
 2016-04-13 21:11:04 -04:00
Ray Speth
155105c916 Update .gitignore 2016-04-13 21:11:04 -04:00
Ray Speth
9ed23a57ab Move non-trivial functions out of header files 2016-04-08 19:13:09 -04:00
Ray Speth
9e5362a762 [ck2cti] Add support for Chemkin-style extended elemental composition 
Support for elemental composition written on additional lines indicated by
Fortran line-continuation character ('&').
 2016-04-08 16:27:32 -04:00
Ray Speth
d1a58e1b25 [Equil] Fix formatting of some VCS debug output 
The lack of space between adjacent fields would cause test failures when
comparing output files when using some versions of MinGW (due to 3-digit
exponents).
 2016-04-08 16:27:27 -04:00
Ray Speth
1a64a230b1 [Test] Add test of VCS equilibrium solver with higher loglevel 
This improves the overall coverage of the test suite, since otherwise much
of the logging code in the VCS solver is not executed.
 2016-04-08 15:40:22 -04:00
Ray Speth
919045e88c [Test] Remove unnecessary files from cxx_ex 2016-04-07 23:22:47 -04:00
Ray Speth
b7f9f230a7 [Equil] Replace (vcs_)print_stringTrunc with usage of cppformat 2016-04-06 23:08:37 -04:00
Ray Speth
ec38f58e73 [SCons] Install data file for LiC6 electrode example 2016-04-06 22:24:26 -04:00
Ray Speth
8b62a59403 [SCons] Generate SConstruct and Makefile for LiC6 electrode example 2016-04-06 22:16:48 -04:00
Ray Speth
0a3927a077 [SCons] SConstruct for C++ demos inherits compiler and options 
Use the same values for the compiler name and the compiler flags as were used
when compiling Cantera.
 2016-04-06 22:07:51 -04:00
Ray Speth
ee1b07ac6b Fix some compiler warnings regarding unused variables 2016-04-05 12:52:01 -04:00
Ray Speth
511a39fc73 [Equil] Standardize VCS solver to always use MKS units 2016-04-05 12:52:01 -04:00