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Author SHA1 Message Date
Ray Speth
cc0377deec Fix compilation failures with PCH and Eigen 
Compilation of polyfit.cpp was failing with GCC on some systems with the
error: "second argument to '__builtin_prefetch' must be a constant"
 2023-02-02 18:33:16 -06:00
Ray Speth
7627417286 Move some function definitions out of header files 
This reduces the set of functions that need to be exported from the
shared library, which includes methods called from inlined functions
defined in header files.
 2023-02-02 18:33:16 -06:00
Ray Speth
6ee94c1df1 Fix incorrect virtual specifier on FalloffRate::evalFromStruct 2023-02-02 18:33:16 -06:00
Ray Speth
622b37efa4 Move factory function definitions out of .h files 2023-02-02 18:33:16 -06:00
Cory Kinney
c0ae563def Add Pycharm to .gitignore 
Ignore `.idea/` folder associated with PyCharm IDE data
 2023-01-24 07:30:28 -05:00
Cory Kinney
81633c31b7 Allow float input of integer geometry flags in ck2yaml 
If `permissive` is given, `float` geometry flags are cast to `int` and are accepted if the values are equal, otherwise, `InputError` is raised. If `permissive` is not given, existing behavior is unchanged.

Add tests to check for correct behavior with and without permissive, for float rounding error, and for character inputs.

Closes #1395
 2023-01-24 07:30:28 -05:00
Ray Speth
8faf6082d3 Fix skipping of pandas test when pandas is not installed 2023-01-23 12:57:58 -05:00
Ray Speth
405e51ffbe Fix files with missing end-of-file newlines 2023-01-23 12:57:58 -05:00
Ray Speth
37250eca98 Remove outdated "friend" declaration 2023-01-23 12:57:58 -05:00
Ray Speth
695bbf5bd1 [Thermo] Deprecate unused getChemPotentials_RT method 2023-01-23 12:57:58 -05:00
Ray Speth
99fffea847 Remove references to "ASCII" input files 2023-01-23 12:57:58 -05:00
Ray Speth
97839894e2 Fix spelling errors 2023-01-23 12:57:58 -05:00
Ray Speth
7f73505ef6 [Doc] Describe Peng-Robinson input parameters 
Also link from phase thermo model to species thermo model for
Peng-Robinson and Redlich-Kwong models.
 2023-01-23 12:57:58 -05:00
Ray Speth
633e5d285f Deprecate Kinetics::surfacePhaseIndex 
The 'reactionPhaseIndex' method is a more general replacement
 2023-01-23 12:57:58 -05:00
Ray Speth
781f7d74a2 [Input] Fix validation handling with minimal Python module 2023-01-23 12:57:58 -05:00
Ray Speth
518b74d5fe Match Sundials integer type in some functions 2023-01-23 12:57:58 -05:00
Ray Speth
39d5f33587 [Python] Defer imports of scipy and pandas 2023-01-22 19:26:00 -05:00
Ray Speth
6ddfc2239b [Python] Replace pkg_resources 
The import time for pkg_resources is significant. As of Python 3.8, the
two commands we use can be replace by 'importlib.metadata.version' and the
lighter-weight 'packaging.version.parse'.
 2023-01-22 19:26:00 -05:00
Ray Speth
3b6be9b4de [CI] Update action versions to resolve warnings 2023-01-21 17:43:37 -06:00
Ray Speth
c94f556a4e [CI] Fix mambaforge setup 2023-01-21 17:43:37 -06:00
Ray Speth
58a5c6a1a8 [Delegator] Improve error messages when return types are missing 2023-01-21 17:43:37 -06:00
Ray Speth
0392d6553e [SCons] Avoid unnecessary rebuilds of wheel 
Fixes a regression introduced in 0958f7cf.
 2023-01-21 17:43:37 -06:00
Ray Speth
a84bc03866 [CI] Print GCC version on Ubuntu builders 2023-01-21 17:43:37 -06:00
Ray Speth
8fcebbc762 [CI] Fix build failures with Python 3.8 on windows-2022 image 2023-01-21 17:43:37 -06:00
Ray Speth
49c06fd679 Fix inclusion of function arguments in Sphinx docs 
Resolves #1408
 2023-01-21 17:43:37 -06:00
Ray Speth
7515ecc5b1 Improve error messages for unimplemented ExtensibleRate methods 2023-01-21 17:43:37 -06:00
Ray Speth
c336f2470d Update documentation for ExtensibleRate 2023-01-21 17:43:37 -06:00
Ray Speth
19d55aa426 Test ExtensibleRate memory management 2023-01-21 17:43:37 -06:00
Ray Speth
5e5e7dfd23 Remove need for prefixing required delegates 2023-01-21 17:43:37 -06:00
Ray Speth
8ece96fb2e Make custom_reaction.py example more robust 
Much of the difference between cases was coming from taking different
numbers of timesteps based on small rounding errors. Running over a
range of different initial conditions and calculating stats on a
"per timestep" basis helps isolate the effect of the user-defined
reactions.
 2023-01-21 17:43:37 -06:00
Ray Speth
199c98b300 [Python] Allow use of '__slots__' in Extensible classes 2023-01-21 17:43:37 -06:00
Ray Speth
f687bfdbf7 Implement ExtensibleRateData for Python interface 2023-01-21 17:43:37 -06:00
Ray Speth
2e65ab1ed5 Allow Solution to hold references to external wrappers 2023-01-21 17:43:37 -06:00
Sergey Torokhov
760b0fb4b0 [SCons] add AR config option (e.g. to set llvm-ar instead of ar) 
Signed-off-by: Sergey Torokhov <torokhov-s-a@yandex.ru>
 2023-01-20 20:07:39 -06:00
bangshiuh
1fa20b7b75 [interface, thermo] fix PlasmaPhase by adding the inheritance 2023-01-15 11:35:27 -06:00
Ray Speth
cb514cdcd5 Fix compareThermo test for PlasmaPhase 2023-01-15 11:35:27 -06:00
bangshiuh
2f9abcfa73 make more functions NotImplemented for PlasmaPhase 2023-01-15 11:35:27 -06:00
bangshiuh
a1d393087b delete unused except +translate_exception 2023-01-15 11:35:27 -06:00
bangshiuh
5f40aac79f [interface] add electron pressure 2023-01-15 11:35:27 -06:00
bangshiuh
d38782db08 [thermo, test] fix the consistency calculation for plasma 2023-01-15 11:35:27 -06:00
Bang-Shiuh Chen
8a1bba987a [thermo] fix plasma thermo properties 2023-01-15 11:35:27 -06:00
Ingmar Schoegl
d629432cbd [platform] Update Makefile and cantera.pc 2023-01-12 14:05:37 -05:00
Ingmar Schoegl
71554f1ba9 [samples] Add Sim1D::save to cxx flamespeed sample 2023-01-12 14:05:37 -05:00
Ingmar Schoegl
d1d0027e9b [OneD] Improve naming of Domain1D objects 2023-01-12 14:05:37 -05:00
Ingmar Schoegl
1d65af8d46 [Base] Improve error handling for native HDF5 storage 2023-01-12 14:05:37 -05:00
Ingmar Schoegl
9028139976 [Base] Mandatory index for SolutionArray::get/setState 2023-01-12 14:05:37 -05:00
Ray Speth
1138adfd4b [Test] Adjust integrator tolerance for MoleReactor tests 
Running with very loose integrator tolerances leads to integrator errors
for certain system configurations. This was seen specifically on the
"Sundials" CI runners.
 2023-01-12 14:05:37 -05:00
Ingmar Schoegl
dff1afd4ce [base] Prevent ambiguous YAML components 2023-01-12 14:05:37 -05:00
Ingmar Schoegl
253e5e79a3 [unittest] Update Sim1D.save/restore tests 2023-01-12 14:05:37 -05:00
Ingmar Schoegl
834c39bfb0 [OneD] Remove legacy YAML serialization 2023-01-12 14:05:37 -05:00