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Author SHA1 Message Date
Ray Speth
ea16489a82 Added data files needed for transport import tests 2012-08-29 22:32:47 +00:00
Ray Speth
f45b2b1ddc Removed unused variable 'm_efctr' from StFlow 2012-08-29 22:13:59 +00:00
Ray Speth
58514d790d Improve comments on OneD eval() function 
Patch supplied by Thomas Fiala.
 2012-08-29 22:13:56 +00:00
Ray Speth
85571ab7c8 Removed unused functions from Rate1 and removed the unused Rate2 class 2012-08-29 22:13:49 +00:00
Ray Speth
6e63ad9c91 Removed unnecessary iterators from RateCoeffMgr 2012-08-29 22:13:45 +00:00
Ray Speth
c0f2734719 Added tests for converting chemkin-format transport data with ck2cti.py 
Includes tests that check to make sure the converter detects duplicate and
missing species.
 2012-08-29 18:30:58 +00:00
Ray Speth
454cfb574c Replaced assert statements in ck2cti.py 2012-08-29 18:30:55 +00:00
Ray Speth
0ebba86bc7 ck2cti.py raises an exception when transport data for some species is missing 2012-08-29 18:30:52 +00:00
Ray Speth
6f5a38a2ba ck2cti.py raises an exception when encountering duplicate transport data 2012-08-29 18:30:48 +00:00
Nicholas Malaya
66c9d4c1f0 updating, even if it is not working... will fiddle further 2012-08-17 22:55:47 +00:00
Nicholas Malaya
be97b0e7ba adding a new regression test 2012-08-17 21:53:35 +00:00
Nicholas Malaya
7a6b615843 adding statmech transport test 2012-08-17 21:25:11 +00:00
Nicholas Malaya
1e2e31ba16 updating the file include path 2012-08-17 21:23:37 +00:00
Nicholas Malaya
852707544c updating makefile 2012-08-17 20:52:21 +00:00
Ray Speth
a549782c7f Eliminated some unnecessary usage of strcpy 2012-08-17 16:44:50 +00:00
Ray Speth
49dbb605ab Changed parseCompString to simplify its typical usage pattern 2012-08-17 16:44:34 +00:00
Ray Speth
fe72446fa0 Factored out a helper function for setState_HPorUV and setState_SPorSV 2012-08-17 16:44:24 +00:00
Ray Speth
848eb619dd Simplified conditional statements in SetState_HPorUV and SetState_SPorSV 2012-08-17 16:44:16 +00:00
Ray Speth
3fbf298a21 Removed redundant implementation of speciesThermo() from LatticeSolidPhase 2012-08-17 16:44:07 +00:00
Ray Speth
85d9d360c7 Fixed a bunch of spelling issues 2012-08-17 16:43:34 +00:00
Ray Speth
01a9bdcf58 Fixed handling of explicit reaction orders for some reactions 
For reactions with unity reactant stoichiometric coefficients, explicit values
for the forward reaction order were being ignored while setting up the
StoichManager.

Added a few tests that confirm that these rates are being calculated correctly.
 2012-08-17 16:43:13 +00:00
Ray Speth
f23c4fa940 Added a test for handling of explicit reaction orders in Chemkin input files 2012-08-17 16:43:02 +00:00
Ray Speth
7a327abb16 Added test for handling of explicit reverse rate constants in Chemkin input files 2012-08-17 16:42:53 +00:00
Ray Speth
eb9441182d Added test for converting "SRI" falloff functions from Chemkin input files 2012-08-17 16:42:43 +00:00
Ray Speth
d578784701 Merge bug fix from the 2.0 maintenance branch 2012-08-15 16:10:04 +00:00
Ray Speth
7ef2bb13e5 Fixed a mistake in the previous update to ck2cti.py 2012-08-15 16:05:45 +00:00
Ray Speth
021f66c755 Merge bug fixes from the 2.0 maintenance branch 2012-08-15 15:36:34 +00:00
Ray Speth
6df63270e0 Fixed an issue with printing "missing species" errors in ck2cti.py 2012-08-15 15:18:52 +00:00
Ray Speth
b26f9f4ee2 Fixed handling of rate coefficient units in ck2cti.py 
Units specified on the REACTIONS line were not being handled correctly,
causing the units(...) directive of the resulting .cti file to always have
the default units of 'cal/mol' and 'mol', but without correcting the values.
 2012-08-15 15:14:08 +00:00
Ray Speth
16462628a7 Error message printed by Plog::validate now indicates the problematic reaction 2012-08-15 15:14:02 +00:00
Ray Speth
548749d080 Fixed an error building Cantera.mak when 'build_with_f2c' is True 2012-08-14 21:49:00 +00:00
Ray Speth
d78ec19e4c Fixed issues with library and include paths in sample SConstruct scripts 2012-08-13 20:14:18 +00:00
Ray Speth
a79428f894 Fixed some issues with paths in Cantera.mak and cantera.pc 2012-08-13 20:14:14 +00:00
Ray Speth
08f1e48371 Fixed calculation of some multicomponent transport properties 
For some properties, the internal temperature-dependent properties
were being updated in the wrong order.

cherry-pick of r1636 from 2.0 maintenance branch
 2012-08-13 20:14:10 +00:00
Ray Speth
9d9a22f16b Fixed compilation of Fortran samples with user-specified compiler 
cherry-pick of r1635 from 2.0 maintenance branch
 2012-08-13 20:14:07 +00:00
Ray Speth
c77539e577 Fixed generated SConstruct files to work with MSVC 
cherry-pick of r1634 from 2.0 maintenance branch
 2012-08-13 20:14:04 +00:00
Ray Speth
b1f480daa5 Fixed Cantera.mak when using the 'single_library=y' config option 
cherry-pick of r1633 from 2.0 maintenance branch
 2012-08-13 20:14:00 +00:00
Ray Speth
9966a24a3f Fixed library specifications in installed SConstruct scripts for samples 
cherry-pick of r1632 from 2.0 maintenance branch
 2012-08-13 20:13:56 +00:00
Ray Speth
ead04df741 Updated docs to indicate that blas_lapack_libs is unnecessary on OS X 2012-08-12 23:00:14 +00:00
Ray Speth
443e35bc36 Removed obsolete method for calculating initial mole fractions in VCS solver 
This has the extra benefit of allowing removal of some f2c-converted code
that was being kept in an inconsistent location (outside the 'ext' directory)
and caused linking issues with some combination of build options.
 2012-08-12 22:59:44 +00:00
Ray Speth
ee3e48b024 Fixed issues linking to libgfortran on OS X 2012-08-12 22:59:40 +00:00
Ray Speth
87062d115d Integration failures with CVODES now generate a more informative exception 
The exception message now lists the solution components and the corresponding
weighted error estimate which should indicate which variables are responsible
for the integration failure.
 2012-08-11 23:58:37 +00:00
Ray Speth
e168634c72 Translate exceptions into appropriate error codes in cvodes_rhs 2012-08-11 23:58:33 +00:00
Ray Speth
1becffecb0 Disallow setting negative temperature or density 2012-08-11 23:58:29 +00:00
Ray Speth
8a3bb109d6 [Python] ReactorNet.step now translates exceptions appropriately 2012-08-11 23:58:23 +00:00
Ray Speth
c092bbaede Fixed the order of include and library directories when compiling 
Include directories in the Cantera source tree should be listed first so that
they take precedence over headers from other installed copies of Cantera that
might end up on the include search path. This was potentially a problem when
Cantera was installed in the same location (e.g. /usr/local) as one of its
dependencies (e.g. Sundials).

The same logic applies to directories on the library link path.
 2012-08-10 21:03:06 +00:00
Ray Speth
bf727c2631 Removed redundant copies of some input files 2012-08-08 22:18:24 +00:00
Ray Speth
8849b2cd0c Fixed path used for CANTERA_DATA when running regression tests 2012-08-08 22:18:19 +00:00
Ray Speth
51a3decaa1 Moved some classes out of the global namespace into namespace Cantera 2012-08-08 22:18:15 +00:00
Ray Speth
f212e3b9d3 Removing leftover references to the Cantera_CXX namespace 2012-08-08 22:18:09 +00:00