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864 commits

Author SHA1 Message Date
Ray Speth
2fb9ff630d Remove abandoned StatMech and PecosTransport classes 2014-03-13 21:35:11 +00:00
Victor Brunini
48ec4dc65c HMWSoln::s_update_lnMolalityActCoeff() performance improvement. 
Only do the expensive update if state has changed.
 2014-03-13 18:35:00 +00:00
Victor Brunini
e62ce054ce Style changes to be consistent with the rest of Cantera. 
Thanks for the code review.
 2014-03-13 16:49:10 +00:00
Ray Speth
4458933420 Fix alignment of ThermoPhase::report output on Windows 
Windows uses 3 digits in the exponent, for which there wasn't enough
space being allocated in the columns for the specific properties.
 2014-03-13 02:19:19 +00:00
Victor Brunini
584abf0d10 Performance improvements for HMWSoln and MaskellSolidSolnPhase. 
HMWSoln: avoid recomputing lambdas if ionic strength hasn't changed.

MaskellSolidSolnPhase: Avoid recomputing activity coefficients if
r and T haven't changed.
 2014-03-12 20:37:04 +00:00
Ray Speth
6a51eb88dc [Thermo] Move modifyOneHf298SS and m_tlast to ThermoPhase 
This eliminates many duplicate implementations of this function and
declarations of this variable.
 2014-03-08 21:46:58 +00:00
Victor Brunini
ee94266939 MaskellSolidSolnPhase: throw in unimplemented functions. 2014-03-07 17:21:14 +00:00
Victor Brunini
1565bad198 MaskellSolidPhaseSoln thermo updates. 
Fix sign error in chemical potentials and update
activity coefficients accordingly.

Correct implementation of getActivityConcentrations()

Additional unit tests.
 2014-03-07 17:14:13 +00:00
Victor Brunini
0981391ac4 Implement and test MaskellSolidSolnPhase::getActivityCoefficients(). 2014-03-07 00:53:33 +00:00
Victor Brunini
7abb459bbe Implement MaskellSolidSolnPhase::standardConcentrations() and getActivityConcentrations() 2014-03-06 22:30:19 +00:00
Victor Brunini
5898bf025f Implement MaskellSolidSolnPhase::getPartialMolarVolumes() 
User VPStandardStateVP as base class and just return
the standard state molar volumes.
 2014-03-06 20:23:23 +00:00
Harry Moffat
b328e396b0 screwed up and didn't check in a complete fix 2014-03-06 17:37:41 +00:00
Harry Moffat
7078ac4d18 Added constructor info to prevent segfaults 
However, need to flesh the whole class out to be useful in Electrode objects.
 2014-03-06 17:03:23 +00:00
Harry Moffat
a58fc91f01 Added back a routine that caused numerous downstream failures. 2014-03-06 04:02:01 +00:00
Victor Brunini
d983660c77 Fix ThermoPhase::getElementPotentials and setElementPotentials 
Broken in r2719.
 2014-03-06 00:40:50 +00:00
Victor Brunini
32ce311bed Fix Issue 209. 
installShomateThermoFromXML now checks that
7 coefficients are supplied in the floatArray and
throws if that is not the case.

Also update MaskeLLSolidSolnPhase_Test xml files
to correctly contain 7 coefficients to not trigger
the newly added throw.
 2014-03-06 00:08:58 +00:00
Ray Speth
c7ba8bfb84 Remove abandoned autotools build system 2014-03-04 17:38:53 +00:00
Victor Brunini
93fcf181b1 Initial pass at implementing Maskell solid solution ThermoPhase. 
Based on Maskell, Shaw, and Tye, Electrochimica Acta 28(2) 225-230 1983.
Includes unit tests checking calculation of the chemical potential values
and parsing of the mixing enthalpy parameter from an XML file.
 2014-02-28 00:38:09 +00:00
Ray Speth
ea040e1a5e [SCons] Always link to static standard libraries with MinGW 2014-02-24 03:25:34 +00:00
Ray Speth
a02d3193de [SCons] Remove unused 'rpfont' configuration variable 2014-02-24 03:25:25 +00:00
Ray Speth
dba9ddd858 Fix miscellaneous integer sign/size warnings 2014-02-21 19:08:47 +00:00
Ray Speth
0392147540 Fix integer sign/size warnings in XML-related functions 2014-02-21 19:08:40 +00:00
Ray Speth
6f8da1a27e Fix 'unused variable' warnings 2014-02-21 19:08:33 +00:00
Ray Speth
2ead29097c [Thermo] Make signatures of overridden Hf298 functions consistent 2014-02-21 19:08:19 +00:00
Ray Speth
4a83d6450b Remove unnecessary include of windows.h 2014-02-21 19:08:07 +00:00
Ray Speth
aad284cce7 [SCons] Fix library linking issues under Cygwin 2014-02-20 03:01:01 +00:00
Ray Speth
44847515ca Fix compilation errors with isnan/isinf using Cygwin's GCC 2014-02-20 03:00:56 +00:00
Ray Speth
03c891ba18 [SCons] Fix a missing SCons dependency 2014-02-20 03:00:41 +00:00
Ray Speth
4ca1d9dd1d [Matlab] Fix detection of errors when importing Kinetics 
Cast the unsigned return type of newKineticsFromXML to a signed type so that the
check on the Matlab side (which looks at the sign of the return value) can
detect and report errors.
 2014-02-13 22:26:45 +00:00
Victor Brunini
92a3d13752 Prevent hidden overloaded virtual function compiler warning. 2014-02-12 21:30:09 +00:00
Ray Speth
fb2f52b2ec General cleanup of class ThermoPhase 2014-02-06 22:59:07 +00:00
Ray Speth
14b1bf093b Remove option to disable 'h298modify_capability' at compile-time 2014-02-06 22:58:56 +00:00
Ray Speth
3015e90088 General cleanup of ctml functions 2014-02-06 22:58:49 +00:00
Victor Brunini
171681bf13 Cache result of expensive function call in HMWSoln for reuse. 
Went from 440s runtime down to 65s for test case of interest.
 2014-02-03 19:48:02 +00:00
Ray Speth
d516d46f33 Remove unnecessary use of static_cast<int> 2014-01-31 23:15:09 +00:00
Ray Speth
3dc335565c Fix missing include in application.cpp 
Causes compilation errors on OS X 10.8.
 2014-01-31 03:44:27 +00:00
Ray Speth
e59a7a7eeb [1D] Eliminate deprecated methods of Domain1D 2014-01-30 00:47:52 +00:00
Ray Speth
ff9584105b Do implicit CTI to XML conversions without generating .xml files 
When instantiating a phase from a .cti file, do the conversion in memory,
without writing the XML representation to disk. This eliminates the unrequrested
XML files that Cantera normally generates, and also avoids errors when running
Cantera from a directory where the user does not have write permissons.
 2014-01-30 00:47:37 +00:00
Ray Speth
aae8982924 Clean up end-of-file whitespace 2014-01-30 00:47:24 +00:00
Ray Speth
a33c57d1f1 [1D] Remove unused method 'setAdiabaticFlame' 2014-01-23 04:20:42 +00:00
Ray Speth
904459c6b8 [1D] Remove unused 'importSolution' function 2014-01-23 04:20:35 +00:00
Ray Speth
cf0ff0c6fd [1D] Move m_zfixed and m_tfixed variables from Domain1D to FreeFlame 
FreeFlame is the only subclass of Domain1D where these variables are used.
 2014-01-21 17:21:43 +00:00
Ray Speth
f45e627745 Fix compiler warnings about implicit double -> int conversions 2014-01-21 17:21:37 +00:00
Bryan W. Weber
4badbd1fb3 [SCons/0D] Update to enable Sundials linked with external BLAS/LAPACK. 
With help from Nick Curtis and Ray Speth.
 2014-01-20 15:19:53 +00:00
Victor Brunini
8c4312f31e Fix potential segmentation fault and invalid read. 2014-01-14 16:51:20 +00:00
Ray Speth
2a37111d33 [SCons] Add Boost libraries when building the shared library 2014-01-09 23:12:18 +00:00
Ray Speth
dfc542be76 Fix some issues identified by compiler warnings 2014-01-09 23:12:11 +00:00
Ray Speth
f3e0280716 Improve error handling when calling ck2cti and ctml_writer 
Only look for modules in the new location (inside the cantera package), and
print the path if they aren't found, to aid in debugging.
 2014-01-08 17:10:53 +00:00
Ray Speth
562eed68d9 Fix missing include in csvdiff 
"std::exit" is declared in <cstdlib>. Fixes compilation errors on OS X 10.9.
 2014-01-08 17:10:48 +00:00
Bryan W. Weber
a689717a7a [Matlab] Add isothermalCompressibility and thermalExpansionCoeff functions 
Resolves Issue 157.
 2014-01-08 17:10:41 +00:00