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119 commits

Author SHA1 Message Date
Nicholas Malaya
f353fcbc16 [cantera]: adding patch that adds support for two methods in C++ to fortran, both getMixDiffCoeffs{Mass,Mole} 2012-06-15 18:53:39 +00:00
Ray Speth
0f04aaf0be Updated documentation to resolve some Doxygen warnings 2012-06-14 21:06:30 +00:00
Nicholas Malaya
4e7de3ad9f [cantera2.0]: updating the doxygen headers for the GasTransport phase. It appears that the latex was written as \Sum, instead of \sum, which makes the doxygen documentation improperly render. Fixing, will check up on documentation later. This change affects methods getMixDiffCoeffsMole as well as getMixDiffCoeffsMass 2012-06-14 14:33:42 +00:00
Ray Speth
584b9fe6f5 Replaced hard-coded values of physical constants with named constants 2012-06-12 22:48:38 +00:00
Ray Speth
aab72379fe Updated physical constants to be consistent with 2010 CODATA recommendations 2012-06-12 22:48:32 +00:00
Ray Speth
2806907060 Fixed size_t conversion warnings related to class Adsorbate 2012-06-05 19:56:46 +00:00
Ray Speth
6cddd8a87a Fixed 'unused variable' warninings when compiling without thread safety 2012-06-05 19:56:42 +00:00
Ray Speth
9f6c79eaf8 Fixed thread safety of TransportFactory 2012-05-31 14:58:03 +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
cc042e088f Enabled class Adsorbate 2012-05-31 14:57:49 +00:00
Ray Speth
6011f24b38 Removed unnecessary WITH_FEATURE configuration options 2012-05-31 14:57:32 +00:00
Ray Speth
84dfde0295 Removed some utility functions that duplicate standard library functions 2012-05-30 16:02:45 +00:00
Ray Speth
fb3be32683 Removed some non-functional CBLAS code from ctlapack 2012-05-30 16:02:41 +00:00
Ray Speth
d3e98fe5a8 Corrected a bunch of spelling errors 2012-05-29 21:21:47 +00:00
Ray Speth
ba8acd41e0 Updated documentation for Phase/ThermoPhase class heirarchy 
Removed some redundant documentation and fixed references to the no
longer existent Constituent and State classes.
 2012-05-29 18:03:35 +00:00
Ray Speth
b411f513ae Resolved the namespace collision between the two classes named "Gaussian" 
This was causing problems on MinGW builds where Gaussian "function" objects
were being misinterpreted as Gaussian "line broadeners" and returning
incorrect results.
 2012-05-29 18:03:22 +00:00
Ray Speth
31ffb5e400 Added support for Sundials 2.5 2012-05-25 23:13:51 +00:00
Ray Speth
9b2d97f41e Fixed some compiler warnings 2012-05-25 23:13:18 +00:00
Ray Speth
047f3611e1 Deprecated unused "getGasTransportData" functions 2012-05-24 16:29:49 +00:00
Ray Speth
5af70f3db8 Removed keyword-substitution cruft 2012-05-24 16:29:29 +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
cc2ed9b751 Fixed some small problems with GasTransport 2012-05-13 22:41:20 +00:00
Ray Speth
6167a724e5 Added functions for computing alternate mixture-averaged diffusion coefficients 2012-05-11 15:27:56 +00:00
Ray Speth
49b631d346 Merged mixture-averaged diffusion coefficient calculations in GasTransport 2012-05-11 15:27:50 +00:00
Ray Speth
f8308d5853 Merged viscosity calculations from MixTransport and MultiTransport 2012-05-11 15:27:44 +00:00
Ray Speth
74e9fa050b Removed a layer of indirection in MultiTransport property updaters 2012-05-11 15:27:38 +00:00
Ray Speth
2193e4ceb0 Normalized formatting of Elements.h and Elements.cpp 2012-04-27 21:20:38 +00:00
Ray Speth
22806f2896 Fixed some indexing problems in the equilibrium solvers 
The expression (m_nsp - m_nel) where both of the variables are
unsigned types was being used as an array size and an upper bound for
some loop indices, neither of which work when there are more elements
than species.
 2012-04-12 21:35:47 +00:00
Ray Speth
bf5dfeaa97 Moved some #includes to the top of their respective files 2012-04-12 15:28:24 +00:00
Ray Speth
59b878bf41 Distinguish between factorization failures and other errors in DenseMatrix.solve 
Input errors always throw exceptions, while factorization failures may
be indicated by the return value, depending on the
m_useReturnErrorCode variable of the DenseMatrix.
 2012-04-11 17:37:27 +00:00
Ray Speth
d8a4c6705a Added an overload of operator<< for std::vector 2012-04-11 17:37:23 +00:00
Harry Moffat
26791b6f6a Moved Mu0Poly.h to the include tree 2012-04-09 16:02:56 +00:00
Harry Moffat
99124c0dd6 Moved the RedlichKister include file to the include tree. 2012-04-09 15:23:55 +00:00
Harry Moffat
232b861284 Moved Tortuosity.h to include file structure so that 1Delectrode code can work. 
It works and produces almost the same results as before.

Added DAE_solvers.cpp back in. There was a missing factory function.

Fixed bandsolver indexing calculations in NonlinearSolver and Bandmatrix due
   to int to size_t conversion. numerics test programs now work.
 2012-04-07 00:06:00 +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
Ray Speth
6a95fbba6c Eliminated unnecessary manual memory management in NasaPoly2 2012-04-05 22:03:24 +00:00
Harry Moffat
4dd4d5c5e3 Added include files that I had said I had moved, but in fact did not. 
Worked on ignore list.
 2012-04-05 19:34:43 +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
d16f70ab44 Fixed some spelling issues 2012-04-04 18:44:24 +00:00
Ray Speth
c26e0591f8 Resolved a few Doxygen warnings 2012-03-30 23:48:56 +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
Ray Speth
b4c07978e6 Implemented parsing of P-log and Chebyshev reactions from CTML 2012-03-30 23:47:31 +00:00
Ray Speth
8ea4ae728a Moved a few standard library includes to more local scopes 2012-03-23 22:16:04 +00:00
Ray Speth
4506ee2f8a Fixed some compiler warning issues 2012-03-15 19:55:18 +00:00