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Author SHA1 Message Date
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
Ray Speth
fc05538d0a Removed old copy of Cantera.h that snuck back in 2012-08-08 22:18:04 +00:00
Ray Speth
3e71897a9c Use actual enums for the pure fluid constants 2012-08-08 22:17:57 +00:00
Ray Speth
b7ee30aa04 Simplified error handling in pure fluid (tpx) calculations 
TPX_Error is now derived from CanteraError, and errors in the tpx calculations
propagate automatically without requiring explicit checks for an error
condition.
 2012-08-08 22:17:48 +00:00
Ray Speth
6663ec05c2 Simplified PureFluidPhase::report 2012-08-08 22:17:43 +00:00
Ray Speth
3fae5d93f7 Refactored ThermoPhase::reportCSV 
The reportCSV method is responsible for formatting and writing the data provided
by the getCsvReportData method. Derived classes need only override the latter
method to customize their reports.

Also, the data which was not in a CSV format has been removed from the output so
the name of the method is no longer misleading.
 2012-08-08 22:17:33 +00:00
Ray Speth
858f355054 Removed some obsolete code for handling deprecated functions 2012-08-08 22:17:28 +00:00
Ray Speth
24d7a3e091 Removed some unused exception classes 2012-08-08 22:17:22 +00:00
Ray Speth
119cf8f5f4 VCS solver now uses normal CanteraError exceptions 2012-08-08 22:17:15 +00:00
Ray Speth
cde96e5191 Folded InterfaceKineticsData into InterfaceKinetics 2012-08-08 22:17:10 +00:00
Ray Speth
346605abc4 Removed some unused CTML functions 2012-08-08 22:17:05 +00:00
Ray Speth
7442ecd88b Removed unimplemented constructPhaseFile and constructPhaseXML methods from MineralEQ3 2012-08-08 22:17:00 +00:00
Ray Speth
10aea02835 Removed constructPhaseFile and constructPhaseXML methods from WaterSSTP 2012-08-08 22:16:55 +00:00
Ray Speth
ef9a87e97f Removed constructPhaseFile and constructPhaseXML methods from RedlichKisterVPSSTP 2012-08-08 22:16:50 +00:00
Ray Speth
3a806b18a1 Removed constructPhaseFile and constructPhaseXML methods from PhaseCombo_Interaction 2012-08-08 22:16:46 +00:00
Ray Speth
f718caef91 Removed constructPhaseFile and constructPhaseXML methods from MolarityIonicVPSSTP 2012-08-08 22:16:42 +00:00
Ray Speth
07dfe48a68 Removed constructPhaseFile and constructPhaseXML methods from MixedSolventElectrolyte 2012-08-08 22:16:38 +00:00
Ray Speth
577f3c28f7 Removed constructPhaseFile and constructPhaseXML methods from MargulesVPSSTP 2012-08-08 22:16:33 +00:00
Ray Speth
a777ef2480 Removed constructPhaseFile and constructPhaseXML methods from IdealSolidSolnPhase 2012-08-08 22:16:29 +00:00
Ray Speth
3f488b2841 Removed constructPhaseFile and constructPhaseXML methods from LatticePhase 2012-08-08 22:16:25 +00:00
Ray Speth
a2ccce6b72 Removed constructPhaseFile and constructPhaseXML methods from DebyeHuckel 2012-08-08 22:16:21 +00:00
Ray Speth
b860262fae Removed constructPhaseFile and constructPhaseXML methods from IonsFromNeutralVPSSTP 2012-08-08 22:16:16 +00:00