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Author SHA1 Message Date
Ray Speth
557ffffc5b [Kinetics] Combine ReactionStoichMgr with class Kinetics 
Class ReactionStoichMgr is now deprecated, as all of its functions were just
pass-throughs between Kinetics and StoichManagerN.
 2014-11-01 00:13:46 +00:00
Ray Speth
f1387be98a Formatting cleanup of importKinetics 2014-11-01 00:13:44 +00:00
Ray Speth
50a08db7c0 [Kinetics] Move some function definitions out of RxnRates.h 
The performance-sensitive update_C and updateRC methods remain in the header
file.
 2014-11-01 00:13:42 +00:00
Ray Speth
0fd5f14288 [SCons] Rename 'cython' test suite to 'python' 
Since the old Python module is gone, we don't need this one to have a different
name.
 2014-11-01 00:13:41 +00:00
Ray Speth
fbe8a7cd3f Make common interface to shared_ptr available 
Use configure-time checks to find an available implementation of shared_ptr from
the standard library (C++11), TR1 (C++03), or Boost.
 2014-11-01 00:13:39 +00:00
Ray Speth
06732a6581 [Kinetics] Merge SRI5 and SRI3 implementations 2014-10-30 21:10:12 +00:00
Ray Speth
9c008a753b [Kinetics] Merge Troe3 and Troe4 implementations 2014-10-30 21:10:09 +00:00
Ray Speth
79d9accaa9 [Kinetics] Clean up documentation of Falloff classes 2014-10-30 21:10:07 +00:00
Ray Speth
d1295a5249 [Kinetics] Make Falloff class declarations public 2014-10-30 21:10:04 +00:00
Ray Speth
3b71d75ada [Kinetics] Add class BulkKinetics 
This class serves as a common base for GasKinetics and AqueousKinetics,
eliminating most of the redundancy between the two classes.
 2014-10-30 21:09:59 +00:00
Ray Speth
6f0fb5cf8d [Kinetics] Refactor and deprecate installReagents 2014-10-29 23:32:27 +00:00
Ray Speth
a8659c86cc [Kinetics] Removed unnecessary initializations 2014-10-29 23:32:24 +00:00
Ray Speth
3ab37254eb [Kinetics] Move m_rfn and m_rkcn up to Kinetics 2014-10-29 23:32:19 +00:00
Ray Speth
987bb8f115 [Kinetics] Remove unused variable 'm_fwdOrder' 2014-10-29 23:32:16 +00:00
Ray Speth
ba87385c86 [Kinetics] Finish deprecating duplicate "reactionNumber" function 
Remove the private implementations outright.
 2014-10-29 23:32:12 +00:00
Ray Speth
d5262e8bee [Kinetics] Move stoich manager and related functions up to Kinetics 2014-10-29 23:32:07 +00:00
Ray Speth
5ca49efff1 [ck2cti] Adjust number of species per line dynamically 2014-10-29 23:32:04 +00:00
Ray Speth
7c6ef9d3c4 [ck2cti] Eliminate trailing whitespace in species list 2014-10-29 23:32:01 +00:00
Ray Speth
2e23362206 [ck2cti] Remove 'reaction' section label when there are no reactions 2014-10-29 23:31:58 +00:00
Ray Speth
c1b64968a6 [ck2cti] Keep full precision of NASA 9-coefficient thermo data 
The 9-coefficient format keeps 10 digits for each coefficient, compared to 9 for
the 7-coefficient format.
 2014-10-29 15:36:31 +00:00
Ray Speth
da35e24151 [SCons] Re-cythonize after changes to header files 2014-10-29 15:36:28 +00:00
Ray Speth
e02a7b0249 [Doc] Describe paths to examples for Homebrewed installation 2014-10-22 22:04:24 +00:00
Ray Speth
dd00d1bc9e [Doc] Add instructions on adding Homebrewed Cantera to the Matlab path 2014-10-22 21:48:24 +00:00
Ray Speth
f8f1c1d46d [Doc] Update OS X installation instructions to fix finding Sundials 2014-10-22 21:48:23 +00:00
Ray Speth
6287c2c311 [Kinetics] Remove unused m_index member of Kinetics classes 2014-10-22 21:48:19 +00:00
Ray Speth
584c57d569 [Kinetics] move "reaction type" up to Kinetics 2014-10-22 21:48:15 +00:00
Ray Speth
d65dbe3da2 [Kinetics] Move common Kinetics features up to the base class 2014-10-22 21:48:11 +00:00
Ray Speth
e7236df51f Formatting cleanup of InterfaceKinetics 2014-10-22 21:48:09 +00:00
Ray Speth
a208c54d1c Add a version of XML_Node::getChildren with a simpler interface 2014-10-22 21:48:04 +00:00
Ray Speth
424a04bffc [Test] Limit number of lines printed after failed test comparison 2014-10-17 23:44:59 +00:00
Ray Speth
7d9a6eeefc Deprecate class SpeciesThermoFactory 2014-10-17 23:44:56 +00:00
Ray Speth
e390beacbe Handle MineralEQ3 adjustment without using ThermoPhase object 2014-10-17 23:44:52 +00:00
Ray Speth
4dd3e1d2bc Use Species objects when adding species from XML 2014-10-17 23:44:47 +00:00
Ray Speth
11caddea1e Implement factory functions for SpeciesThermoInterpType 2014-10-17 23:44:42 +00:00
Ray Speth
5bc4a12e2e Add options for handling Species containing undefined elements 2014-10-17 23:44:37 +00:00
Ray Speth
26b6f190f3 Introduce class Species 2014-10-17 23:44:31 +00:00
Ray Speth
53abe2ee9a [Thermo] Always use GeneralSpeciesThermo 
The specialized SpeciesThermo derived types offer no performance benefit now
that GeneralSpeciesThermo manages calculation of the temperature terms
efficiently.
 2014-10-15 02:03:06 +00:00
Ray Speth
5cb1d6b338 [Test] Add some SpeciesThermoInterpType tests 2014-10-15 02:03:03 +00:00
Ray Speth
6c3fc200b6 Clean up implementation of GeneralSpeciesThermo 2014-10-15 02:03:01 +00:00
Ray Speth
5166336a32 [Thermo] Add continuity check to NasaPoly2 2014-10-15 02:02:58 +00:00
Ray Speth
0da3424249 [Thermo] Improve performance of GeneralSpeciesThermo 
Compute the temperature polynomial only once for each parameterization type. By
doing this, we essentially get performance parity with the specialized
SpeciesThermo types (NasaThermo, ShomateThermo, SimpleThermo).
 2014-10-15 02:02:55 +00:00
Ray Speth
227b342d1b Fix Nasa9PolyMultiTempRegion::updateProperties to use the correct polynomial 2014-10-15 02:02:53 +00:00
Ray Speth
40470c46af [Thermo] Separate temperature polynomial calculation from property update 2014-10-15 02:02:48 +00:00
Ray Speth
930bcceddc Clean up formatting of SpeciesThermoInterpType 2014-10-15 02:02:46 +00:00
Harry Moffat
e5c3377dd2 Changed the name of a few internal variables. 2014-10-10 01:40:40 +00:00
Ray Speth
b50ab99326 [Test] Fix fileLog class used in DH_graph_1 
The class was missing the implementation of writeendl, which caused the
base class method to be called, occasionally leading to confusing test failures.

Not setting the mode of the output file caused it not to be automatically created,
so the log file usually wasn't even being written.
 2014-10-08 16:54:55 +00:00
Ray Speth
044235c065 [SCons] Remove unnecessary uses of pjoin 2014-10-08 16:54:49 +00:00
Ray Speth
43f022384c Add version of installVPThermoForSpecies without unused arguments 
Deprecate the old version of SpeciesThermoFactory::installVPThermoForSpecies.
 2014-10-08 16:54:44 +00:00
Ray Speth
c4a5f2667f Remove CTML_VERSION macros 
CTML_VERSION_1_4_1 was never used, and defining CTML_VERSION_1_4 broke reading
values written by the addInteger and addFloat functions with the getInteger and
getFloat functions, respectively.
 2014-10-08 16:54:42 +00:00
Ray Speth
0db18ad0b1 [SCons/Test] Re-run tests if shared library changes 2014-10-08 16:54:39 +00:00