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173 commits

Author SHA1 Message Date
Ray Speth
68c0270958 Cleaned up Doxygen docs for class ImplicitSurfChem 2013-04-12 23:05:46 +00:00
Ray Speth
76d3a03921 Updated Doxygen documentation for falloff-related classes 2013-04-12 23:05:38 +00:00
Ray Speth
d103ec8d2f Cleaned up Doxygen documentation for class Kinetics and descendants 2013-04-12 23:05:20 +00:00
Ray Speth
7b7d3ac0d4 Fixed locale-dependent processing of XML files 
Floating point values are read using a std::stringstream imbued with the "C"
locale to avoid problems with using std::atof when the user's locale uses a
character other than "." as the decimal separator.

Patch provided by Phillip Berndt.

Fixes Issue 153.
 2013-04-03 23:10:18 +00:00
Ray Speth
229ef825f0 [Kinetics] Refactored GasKinetics to more easily support derived classes 2013-03-04 17:31:32 +00:00
Ray Speth
8847b5abac [Kinetics] Ensure that equilibrium constants are not zero 
This prevents reverse rate constants from becoming NaN when the forward rate
constant underflows.
 2013-02-15 17:31:15 +00:00
Ray Speth
934010136d Removed unnecessary temporaries used for storing return values 2013-02-14 01:04:07 +00:00
Ray Speth
e04e59cdd3 Removed extraneous parentheses around arguments to 'return' 
'return' is a keyword, not a function, so these parens are unnecessary.
 2013-02-14 01:03:48 +00:00
Ray Speth
6d6e237f07 Removed unnecessary checks surrounding delete operations 2013-02-14 01:03:32 +00:00
Ray Speth
a25c1a43b3 [Kinetics] Fixed crashes when reaction mechanism contains no reactions 
Make sure several arrays are never of length zero so that taking &v[0]
is always well-defined.
 2013-02-14 01:02:18 +00:00
Ray Speth
7da738d238 Re-applied consistent formatting to trunk 
Applied using: astyle -n --style=kr --add-brackets --indent=spaces=4
--indent-col1-comments --unpad-paren --pad-header --align-pointer=type
--lineend=linux
 2013-02-07 23:40:59 +00:00
Victor Brunini
a709d5f816 Revert "Removed unused member variable ReactionData.rxn_number" 
This variable is used in some applications we build against
cantera.

This reverts commit 7d7b6dd39d12c2e2bdd2a9d2a959c0aee3c0c4c5.
 2013-01-15 20:16:42 +00:00
Ray Speth
50327a665f Moved some function implementations out of InterfaceKinetics.h 
This gets rid of some (mostly spurious) warnings generated by MSVC
 2013-01-11 22:56:33 +00:00
Ray Speth
33653e7f43 Removed unused member variable ReactionData.rxn_number 2013-01-11 22:56:30 +00:00
Ray Speth
46a8b3052f Use size_t instead of int in InterfaceKinetics 2012-12-26 23:56:07 +00:00
Harry Moffat
ea25de7fe7 Continuing transfering LiquidTransport changes, doing bugfixes, and 
qualifying against our testsuite.
 2012-12-15 00:49:14 +00:00
Harry Moffat
c6f7abbf2f Fixed a serious error in InterfaceKinetics that had crept into this branch. 
Started upgrade/update of equilibrium solver
       - Fixed numerical jacobian calculation of the ln activity coefficients.
 2012-11-29 02:18:05 +00:00
Ray Speth
94d08f1d5e Removed unnecessary casts from object duplication functions 2012-10-24 15:45:33 +00:00
Ray Speth
1d19803885 Pass "const std::string&" instead of "std::string" when possible 2012-10-24 15:42:51 +00:00
Ray Speth
85d9d360c7 Fixed a bunch of spelling issues 2012-08-17 16:43:34 +00:00
Ray Speth
cde96e5191 Folded InterfaceKineticsData into InterfaceKinetics 2012-08-08 22:17:10 +00:00
Ray Speth
deea83d68b Merge bug fixes from the 2.0 maintenance branch 2012-08-02 16:07:35 +00:00
Ray Speth
67395c8438 Added validation of Plog rate expressions 2012-07-24 23:03:28 +00:00
Ray Speth
d25cb04713 Removed unnecessary manual memory management from InterfaceKinetics 
Converted m_rxnPhaseIsReactant and m_rxnPhaseIsProduct from
vector<bool*> to vector<vector<bool> >.
 2012-07-20 18:26:57 +00:00
Nicholas Malaya
77bb5e15ce removing several deprecated header files from the makefile.ams. In addition, headers should now be properly installed by the make install step 2012-07-18 22:54:54 +00:00
Ray Speth
3ce3da1fa2 Fixed code formatting 2012-07-18 18:32:29 +00:00
Ray Speth
b5b536ff83 Removed some deprecated code 2012-07-16 22:19:10 +00:00
Ray Speth
8b6c9a0bf7 Removed some deprecated functions 2012-07-16 22:18:11 +00:00
Nicholas Malaya
8d57c11eac [cantera2.0]: fixing build order in kinetics, and adding correct configure.ac setup for tpx 2012-06-19 16:15:52 +00:00
Nicholas Malaya
255c1453db [cantera2.0]: more makefile.am adjustments... cantera autotools version is very nearly functioning now 2012-06-18 02:56:59 +00:00
Nicholas Malaya
9eb6f72f88 [cantera]: fixing kinetic makefile include line 2012-06-18 00:33:18 +00:00
Nicholas Malaya
724baced8b [cantera]: fixing up the build system in prep for the 2.0 release. Should be shiny. 2012-06-14 23:00:58 +00:00
Ray Speth
0f04aaf0be Updated documentation to resolve some Doxygen warnings 2012-06-14 21:06:30 +00:00
Ray Speth
2970e0c693 Added a ScopedLock typedef that can be used without requiring extra any #ifdefs 2012-05-31 14:57:54 +00:00
Ray Speth
d3e98fe5a8 Corrected a bunch of spelling errors 2012-05-29 21:21:47 +00:00
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