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91 commits

Author SHA1 Message Date
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
Ray Speth
870ae7ede2 Fixed compilation of the RedlichKwongMFTP class 
Enabled with the build option "with_real_gases".
Class has no test cases.
 2012-03-15 19:52:35 +00:00
Ray Speth
b3ae0c9208 Use quotes instead of angle brackets for non-system header #includes 2012-03-15 19:52:16 +00:00
Ray Speth
ca4212cc57 Removed a number of unused / redundant typedefs 2012-03-15 19:51:57 +00:00
Ray Speth
d8edde0264 Expanded array bounds checking in C interface functions 2012-03-15 19:51:37 +00:00
Ray Speth
b145ee407d Moved m_nsp up to Transport from derived classes 2012-03-15 19:51:25 +00:00
Ray Speth
1e8870191d Moved m_kk up to the base Kinetics class 2012-03-15 19:51:16 +00:00
Ray Speth
7676097b4a Removed execute permission from nonexecutable files 2012-03-13 17:32:41 +00:00
Ray Speth
0045bc0a71 Removed unused tmpDir and sleep functions 2012-03-09 23:00:16 +00:00
Ray Speth
92017de067 Removed some vestigial ifdef blocks 2012-03-09 22:58:17 +00:00
Ray Speth
f3968fdda8 Removed unnecessary manual memory management from ChemEquil 2012-03-09 22:57:57 +00:00
Ray Speth
312b7ff2c4 Deprecated the global "report(ThermoPhase&)" function 2012-03-09 22:57:35 +00:00
Ray Speth
c440373aba Folded class Elements into class Phase 2012-03-09 22:57:18 +00:00
Ray Speth
7e39e91b5b Cleaned up documentation and comments for class Phase 2012-03-09 22:57:05 +00:00
Ray Speth
78a093b485 Folded class Constituents into class Phase 2012-03-09 22:56:11 +00:00
Ray Speth
e41f43300f Folded class State into class Phase 2012-03-09 22:55:34 +00:00
Ray Speth
775ed1c609 Moved overview of Phase/Thermophase into the doxygen directory 2012-03-09 22:55:16 +00:00
Ray Speth
9753cc7c40 Deprecated the unused "userInterface" function 2012-03-09 22:54:47 +00:00
Ray Speth
0312f6dc21 Removed exception-based flow control from Sim1D::solve 2012-03-09 22:54:35 +00:00
Ray Speth
692f1249ae Deprecated some unused functions in SpeciesThermoMgr.h 2012-03-07 00:51:56 +00:00
Ray Speth
11d97dfbbf Simplified definitions in class SpeciesThermoDuo 2012-03-07 00:51:51 +00:00
Ray Speth
55db95974c Removed deprecated SpeciesThermo1 class 2012-03-07 00:51:46 +00:00
Ray Speth
3bff32dd55 Fixed problems that generated warnings with the Intel compiler 2012-03-07 00:51:13 +00:00
Ray Speth
9cdf079d2d Added templated generic exception handler for clib functions 2012-03-05 20:46:34 +00:00
Ray Speth
54efbaa320 Rewrote exception handling to be more general and more explicit 
CanteraError inerits from std:exception, so now it has a what() method
that is used to print a message describing the exception. Adding an
exception to the Cantera error stack now requires explicitly calling
the .save() method.
 2012-03-05 20:45:56 +00:00
Ray Speth
e3b5ee802e Contents of misc.cpp relocated 
The functions formerly defined in misc.cpp are now defined in the
source files corresponding to the header files where they were
declared.
 2012-03-05 20:45:31 +00:00
Ray Speth
6a9f3ea892 Marked some unused functions as deprecated 2012-03-01 00:44:31 +00:00
Ray Speth
8161a9aa5a Fixed incorrect documentation for getPureGibbs in some classes 2012-03-01 00:44:22 +00:00
Ray Speth
ffb7049a74 Marked a few unused member variables as deprecated 2012-02-28 19:01:50 +00:00