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229 commits

Author SHA1 Message Date
Harry Moffat
458fbf579d removed include files that were suppose to have been moved. 2012-04-05 19:17:01 +00:00
Harry Moffat
25ba149aab Sorry for monolithic commit. Will break it up in the future. 
Moved the external libraries to separate library files so that libcantera.a just contains its own namespace externals.

Fixed several errors in the equilibrium program that occurred during the port. (int to size_t issues).

Moved some equilibrium program headers to the include file system, so that it can link with equilibrium program.

Worked on Cantera.mak. Needs more work.

Fixed an issue with the Residual virtual base classes within numerics. They didn't inherit due to int to size_t migration. This caused numerous test problems to fail (issue with backwards compatibility - do we want it and how much do we want?).

Added csvdiff back so that it's available for shell environment runtests.
 2012-04-05 00:24:31 +00:00
Ray Speth
e323340c73 Fixed building the Python module with MinGW when Visual Studio is not present 2012-04-04 18:45:11 +00:00
Ray Speth
11a0504c0a Formatting cleanup of rxninfo::installReaction 2012-04-04 18:44:59 +00:00
Ray Speth
3d9efad94f Reduced complexity of duplicate reaction detection from n^2 to n*log(n) 2012-04-04 18:44:56 +00:00
Ray Speth
d16f70ab44 Fixed some spelling issues 2012-04-04 18:44:24 +00:00
Ray Speth
287e4aa67e Fixed problems detecting and linking to Sundials on Windows 2012-04-04 18:44:11 +00:00
Ray Speth
c26e0591f8 Resolved a few Doxygen warnings 2012-03-30 23:48:56 +00:00
Ray Speth
b4d0f37fc4 Removed unused file: mix.h 2012-03-30 23:48:50 +00:00
Ray Speth
52cf8cecae Eliminated some unnecessary memory management in stoichiometry managers 2012-03-30 23:48:32 +00:00
Ray Speth
7bfd094eaf Implemented Chebyshev rate expressions 2012-03-30 23:48:25 +00:00
Ray Speth
8cbc083854 Simplified AqueousKinetics by eliminating class AqueousKineticsData 2012-03-30 23:48:20 +00:00
Ray Speth
9adbd2dc8f Simplified GasKinetics by eliminating class GasKineticsData 2012-03-30 23:48:13 +00:00
Ray Speth
4650e05404 Check third-body efficiencies for invalid species identifiers 2012-03-30 23:48:06 +00:00
Ray Speth
510b25b884 Implementation of P-log rate expressions 
Also includes skeleton for implementing Chebyshev rates.
 2012-03-30 23:47:50 +00:00
Ray Speth
234439d10f Make use of the ReactionData struct when installing reactions 2012-03-30 23:47:38 +00:00
Ray Speth
b4c07978e6 Implemented parsing of P-log and Chebyshev reactions from CTML 2012-03-30 23:47:31 +00:00
Ray Speth
7f46371653 Show CVODE error codes when integration fails 2012-03-30 23:46:14 +00:00
Harry Moffat
95700d9641 Added save() to constructors of CanteraError() so that 
the error will register within the application class.
 2012-03-30 01:13:42 +00:00
Ray Speth
bf1f14c178 Ignore negative values when setting composition (mass fractions etc.) 
This should resolve a number of problems when integrating reactor networks,
as well as some other unexpected behavior.
 2012-03-25 23:25:41 +00:00
Ray Speth
4feb983688 Fixed some memory leaks in the Python module 2012-03-23 22:16:42 +00:00
Ray Speth
3c83a76e48 Wall radiation heat flux calculation now uses given emissivity 2012-03-23 22:16:37 +00:00
Ray Speth
8ea4ae728a Moved a few standard library includes to more local scopes 2012-03-23 22:16:04 +00:00
Ray Speth
4879c6db47 Fixed out-of-bounds string indexing in ck2cti 2012-03-15 22:49:10 +00:00
Ray Speth
f22ecac5c4 Use the Accelerate framework for BLAS and LAPACK on OS X 2012-03-15 22:49:04 +00:00
Ray Speth
4506ee2f8a Fixed some compiler warning issues 2012-03-15 19:55:18 +00:00
Ray Speth
b159a8f20b Removed declarations for non-existent C interface functions 2012-03-15 19:52:44 +00:00
Ray Speth
870ae7ede2 Fixed compilation of the RedlichKwongMFTP class 
Enabled with the build option "with_real_gases".
Class has no test cases.
 2012-03-15 19:52:35 +00:00
Ray Speth
b3ae0c9208 Use quotes instead of angle brackets for non-system header #includes 2012-03-15 19:52:16 +00:00
Ray Speth
ca4212cc57 Removed a number of unused / redundant typedefs 2012-03-15 19:51:57 +00:00
Ray Speth
83e1996295 Cleaned up some of the Matlab extension code 2012-03-15 19:51:45 +00:00
Ray Speth
d8edde0264 Expanded array bounds checking in C interface functions 2012-03-15 19:51:37 +00:00
Ray Speth
b145ee407d Moved m_nsp up to Transport from derived classes 2012-03-15 19:51:25 +00:00
Ray Speth
1e8870191d Moved m_kk up to the base Kinetics class 2012-03-15 19:51:16 +00:00
Ray Speth
7676097b4a Removed execute permission from nonexecutable files 2012-03-13 17:32:41 +00:00
Ray Speth
bac65b26a1 Added machinery for unit testing of the Matlab toolbox 
Unit tests are written using the Matlab xUnit Test Framework
 2012-03-13 17:32:10 +00:00
Ray Speth
5274b1eca0 Fixed attaching stdin and stdout to python subprocess 2012-03-13 17:31:55 +00:00
Ray Speth
32de9a8b27 Fixed some problems printing error messages in Matlab 2012-03-10 21:25:22 +00:00
Ray Speth
22bdb58f33 Added consistent, complete exception handling to C interface functions 2012-03-09 23:00:31 +00:00
Ray Speth
0045bc0a71 Removed unused tmpDir and sleep functions 2012-03-09 23:00:16 +00:00
Ray Speth
82d467944f Eliminated temporary files from the ct2ctml conversion process 
Added libstringstream, which maps stdin and stdout to std::iostream.
Using this library means we no longer create either the temporary .py
file or the ct2ctml.log file.

This also eliminates the synchronization problems that motivated the
sleep commands around the system call, so cti to ctml conversions are
significantly faster now.
 2012-03-09 22:59:21 +00:00
Ray Speth
b5fdb92146 Python tests now have SCons dependency on the Python extension 
This means that running a Python test will cause the Python extension
to be built, and that changes in the source will cause the Python tests
to rerun.
 2012-03-09 22:59:04 +00:00
Ray Speth
950ebbb2ca Fixed a malformed format string in vcs_solve_TP 
This was causing intermittent test failures in the VCS regression
test.
 2012-03-09 22:58:53 +00:00
Ray Speth
92017de067 Removed some vestigial ifdef blocks 2012-03-09 22:58:17 +00:00
Ray Speth
f3968fdda8 Removed unnecessary manual memory management from ChemEquil 2012-03-09 22:57:57 +00:00
Ray Speth
312b7ff2c4 Deprecated the global "report(ThermoPhase&)" function 2012-03-09 22:57:35 +00:00
Ray Speth
c440373aba Folded class Elements into class Phase 2012-03-09 22:57:18 +00:00
Ray Speth
7e39e91b5b Cleaned up documentation and comments for class Phase 2012-03-09 22:57:05 +00:00
Ray Speth
78a093b485 Folded class Constituents into class Phase 2012-03-09 22:56:11 +00:00
Ray Speth
e41f43300f Folded class State into class Phase 2012-03-09 22:55:34 +00:00