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Author SHA1 Message Date
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
Ray Speth
a60217cfc6 [Equil] Make better use of local variables 2016-04-05 12:52:01 -04:00
Ray Speth
60eed786fa [SCons] Fix fallback behavior with explicitly-specifed Fortran compiler 
If the user has explicitly specified a Fortran compiler, we shouldn't fall back
to using a different one if the specified one cannot be found.
 2016-04-05 12:52:01 -04:00
Ray Speth
4799d19b39 [Doc] Drop references to the "legacy" vs "new" Python modules 2016-04-02 22:13:42 -04:00
Ray Speth
6d91b44ed6 [SCons] Fix setting of prefix when building Debian packages 
'prefix' shouldn't be changed after it's used, but should be set by the
debian/rules script
 2016-04-01 16:25:58 -04:00
Ray Speth
31c66378c6 [SCons] Fix Cantera.mak when blas_lapack_dir is empty 
Previously, if no library directory needed to be specified for BLAS/LAPACK, the
link line would end up containing '-L -llapack -lblas' which is interpreted as
adding the directory '-llapack' to the linker search path.
 2016-04-01 15:48:12 -04:00
Ray Speth
05198ddcfb Fix get_modified_time to avoid race condition on Windows 
If multiple processes tried to read the same input file simultaneously,
get_modified_time would fail. With this change, get_modified_time
does not need to actually open the file in order to read the metadata.
 2016-03-30 20:35:15 -04:00
Ray Speth
2bfbd73a12 [Python] Add Reaction.__contains__ method 2016-03-28 18:03:02 -04:00
Ray Speth
4c5301d6cd [1D] Initialize number-of-steps counter at start of solve 
Fixes the enforcement of the maximum number of steps constraint if solve() is
called again after an exception.
 2016-03-28 17:13:24 -04:00
Ray Speth
233399f899 [ck2cti] Fix conversion of NASA9 thermo with only one temperature range 2016-03-28 12:48:10 -04:00
Ray Speth
2e3726fe5f [Thermo] Mark overrides of ThermoPhase methods as virtual consistently 2016-03-28 00:01:39 -04:00
Ray Speth
bec0c88e32 [Thermo] Remove unnecessary overloads of getElectrochemPotentials 2016-03-27 23:18:26 -04:00
Ray Speth
881fcbaf6f Improve use of local variables in src/numerics 2016-03-27 22:52:49 -04:00
Ray Speth
0995725a13 [1D] Deprecate unused methods of Domain1D 2016-03-27 22:19:38 -04:00
Ray Speth
1aa28f9310 Let the constructor for std::string do its job 2016-03-27 22:19:38 -04:00
Ray Speth
9c632cf123 [1D] Remove unused / unimplemented methods from StFlow 2016-03-27 22:19:37 -04:00
Ray Speth
d52a0fdbcb [1D] Eliminate redundant parts of StFlow::showSolution 2016-03-27 21:19:45 -04:00
Ray Speth
2e56f6dee3 [SCons] Allow compiler options which contain commas 
Compiler options such as '-Wl,-z,rlero' were incorrectly being split into
multiple options by SCons. Compiler options must now be separated by spaces when
specified on the SCons command line.

Fixes #320
 2016-03-27 20:21:56 -04:00
Ray Speth
92ccda85fc [1D/Examples] Use 'auto' to simplify 1D examples 2016-03-27 17:07:37 -04:00
Ray Speth
2315da5230 [1D/Test] Add more tests for counterflow premixed flames 2016-03-27 17:07:37 -04:00
Ray Speth
dfb4d62e12 [1D/Test] Add test for ImpingingJet and ReactingSurface1D 2016-03-27 17:07:37 -04:00
Ray Speth
3e371c8093 [1D] Add tests for burner stabilized flames 2016-03-27 17:07:37 -04:00