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146 commits

Author SHA1 Message Date
Ray Speth
987578d033 Increased timeout for ct2ctml subprocess 2012-04-12 15:28:28 +00:00
Ray Speth
bf5dfeaa97 Moved some #includes to the top of their respective files 2012-04-12 15:28:24 +00:00
Ray Speth
ba8c814814 Use the Windows Registry to set PYTHONPATH 
Cantera's mechanism conversion scripts are now installed in the main
Cantera directory, so processing should work fine as long as Python is
on the path, whether or not the Cantera Python module is installed.
 2012-04-11 20:26:05 +00:00
Ray Speth
802f5e9f06 Fixed some issues installing the Matlab toolbox on Windows 2012-04-11 20:25:59 +00:00
Ray Speth
abf2e04084 Changed visibility of symbols in ctmethods.mex on Linux 
This allows Cantera to use BLAS/LAPACK functions included in the mex
file instead of the incompatible ones that are part of Matlab.
 2012-04-11 17:37:33 +00:00
Ray Speth
a1641019dd Made dependency of Matlab extension on the Cantera library explicit 2012-04-11 17:37:30 +00:00
Ray Speth
59b878bf41 Distinguish between factorization failures and other errors in DenseMatrix.solve 
Input errors always throw exceptions, while factorization failures may
be indicated by the return value, depending on the
m_useReturnErrorCode variable of the DenseMatrix.
 2012-04-11 17:37:27 +00:00
Ray Speth
eb337eac8d Fixed 1D grid refinement based on curvature requirement 
The variable "dz" was being used before being calculated, causing
the algorithm to never insert points based on the curvature criterion.
 2012-04-10 03:13:12 +00:00
Ray Speth
d8db89e708 Propagate setSteadyMode from OneDim to child Domain1D objects 2012-04-10 03:13:07 +00:00
Ray Speth
322d8306b1 Fixed some overzealous bounds checking in ctonedim 2012-04-10 03:13:03 +00:00
Harry Moffat
26791b6f6a Moved Mu0Poly.h to the include tree 2012-04-09 16:02:56 +00:00
Harry Moffat
99124c0dd6 Moved the RedlichKister include file to the include tree. 2012-04-09 15:23:55 +00:00
Harry Moffat
232b861284 Moved Tortuosity.h to include file structure so that 1Delectrode code can work. 
It works and produces almost the same results as before.

Added DAE_solvers.cpp back in. There was a missing factory function.

Fixed bandsolver indexing calculations in NonlinearSolver and Bandmatrix due
   to int to size_t conversion. numerics test programs now work.
 2012-04-07 00:06:00 +00:00
Harry Moffat
9c06d1e07c Fixed an error with the instanteation of electrode reactions using 
the exchange current density formulation.
Electrode object test problems now all work.
 2012-04-05 22:50:51 +00:00
Ray Speth
e11281477e Added configuration option for building a single library 
This is necessary particularly for Windows, where there's no easy way
to build shared libraries of the f2c code because those functions
don't have the necessary __declspec(dllexport) in their non-existent
headers.
 2012-04-05 22:03:30 +00:00
Ray Speth
6a95fbba6c Eliminated unnecessary manual memory management in NasaPoly2 2012-04-05 22:03:24 +00:00
Harry Moffat
4dd4d5c5e3 Added include files that I had said I had moved, but in fact did not. 
Worked on ignore list.
 2012-04-05 19:34:43 +00:00
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