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338 commits

Author SHA1 Message Date
Ray Speth
754faa3b13 Added option to ignore third-body efficiencies for undeclared species 
To enable this option, in the phase definition, add
'skip_undeclared_third_bodies' to the list passed as the 'options'
argument.
 2012-05-18 22:41:58 +00:00
Ray Speth
58e3bade9a Fixed value checks for falloff parameterizations 2012-04-27 21:20:46 +00:00
Ray Speth
d69eea2b3e Dead code removal 2012-04-27 21:20:42 +00:00
Nicholas Malaya
79b29300a6 [cantera]: updating autotools build system. Library building, need to fix another test. Additionally, adding hypersonic flow transport model-- need to add hypersonic thermodynamics as well. 2012-04-25 13:18:25 +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
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
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
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
8ea4ae728a Moved a few standard library includes to more local scopes 2012-03-23 22:16:04 +00:00
Ray Speth
ca4212cc57 Removed a number of unused / redundant typedefs 2012-03-15 19:51:57 +00:00
Ray Speth
d8edde0264 Expanded array bounds checking in C interface functions 2012-03-15 19:51:37 +00:00
Ray Speth
1e8870191d Moved m_kk up to the base Kinetics class 2012-03-15 19:51:16 +00:00
Ray Speth
92017de067 Removed some vestigial ifdef blocks 2012-03-09 22:58:17 +00:00
Ray Speth
78a093b485 Folded class Constituents into class Phase 2012-03-09 22:56:11 +00:00
Ray Speth
3bff32dd55 Fixed problems that generated warnings with the Intel compiler 2012-03-07 00:51:13 +00:00
Ray Speth
54efbaa320 Rewrote exception handling to be more general and more explicit 
CanteraError inerits from std:exception, so now it has a what() method
that is used to print a message describing the exception. Adding an
exception to the Cantera error stack now requires explicitly calling
the .save() method.
 2012-03-05 20:45:56 +00:00
Ray Speth
657ed19371 Fixed warnings related to printf/sprintf 2012-02-28 19:02:00 +00:00
Ray Speth
981a04a325 Split Kinetics::kineticsSpeciesIndex into two separate functions 2012-02-27 18:15:41 +00:00
Ray Speth
236756fbf0 Removed rogue tabs in the C++ source code 2012-02-27 18:15:02 +00:00
Ray Speth
8bce9d7332 Fixed compiler warnings revealed by MinGW 2012-02-27 18:14:43 +00:00
Ray Speth
b955395ed1 Skip cast from size_t to int when calling int2str 2012-02-27 18:14:17 +00:00
Ray Speth
8f4f72369e Use the associated Cabinet to look up an item's index 
This allowed removal the m_index member and associated methods
of the ThermoPhase, Kinetics, and Transport classes.
 2012-02-27 18:12:13 +00:00
Ray Speth
437294ae00 Removed previously-deprecated array_fp typedef 2012-02-22 00:16:22 +00:00
Ray Speth
18bce3bc62 Fixed lines ending with doubled semicolon. 2012-02-22 00:16:10 +00:00
Ray Speth
35429de71c Fixed a bunch of spelling errors in the documentation and comments 2012-02-21 16:04:09 +00:00
Ray Speth
fe8a5d49a8 Use std::min and std::max instead of homegrown alternatives 2012-02-21 16:03:32 +00:00
Ray Speth
30d233474a Use std::min and std::max instead of preprocessor macros 2012-02-21 16:03:09 +00:00
Ray Speth
e8b04fb2b4 Fixed numerous compiler warnings from MSVC 2012-02-17 20:29:10 +00:00
Ray Speth
a310345b9e Updated #includes to reflect new header file locations 2012-02-12 02:44:14 +00:00
Ray Speth
2528df0f75 Reorganized source tree structure 
These changes make it unnecessary to copy header files around during
the build process, which tends to confuse IDEs and debuggers. The
headers which comprise Cantera's external C++ interface are now in
the 'include' directory.

All of the samples and demos are now in the 'samples' subdirectory.
 2012-02-12 02:27:14 +00:00