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178 commits

Author SHA1 Message Date
Ray Speth
e43a4a8b3c Remove unnecessary "APPROACH" macro 2013-05-31 15:55:43 +00:00
Ray Speth
190c4bf8ce Cleaned up Doxygen documentation in other "numerics" classes 2013-05-29 00:11:40 +00:00
Ray Speth
eadf4e3fdd Cleaned up Doxygen documentation for Sundials wrapper classes 2013-05-29 00:11:32 +00:00
Ray Speth
e9daef3313 Cleaned up Doxygen Documentation for matrix classes 
BandMatrix, DenseMatrix, SquareMatrix, and GeneralMatrix
 2013-05-29 00:11:22 +00:00
Ray Speth
7e8276809f Cleaned up Doxygen documentation for class BEulerInt 2013-05-29 00:11:17 +00:00
Ray Speth
09def59948 Eliminated use of mdp functions in BEulerInt 2013-04-29 18:05:31 +00:00
Ray Speth
5205a7a530 Eliminated use of mdp functions in NonlinearSolver 2013-04-29 18:05:27 +00:00
Ray Speth
2c58b7237a Moved the "checkFinite" function into the Cantera namespace 2013-04-29 18:05:22 +00:00
Ray Speth
0a059d406a Eliminated unnecessary empty destructors from derived classes 
See http://www.parashift.com/c++-faq-lite/virtual-dtors.html
 2013-04-29 18:04:23 +00:00
Ray Speth
59d615c8d2 Removed the useless SAFE_DELETE macro 2013-04-12 23:06:45 +00:00
Ray Speth
9a1d6532ba Fixed compilation error when using Sundials 2.3 2013-03-13 20:20:27 +00:00
Harry Moffat
3cc0aa1689 Fixed an overloaded operator error 
Fixed a compilation error that occurred in DEBUG_MODE
 2013-02-25 20:00:24 +00:00
Ray Speth
934010136d Removed unnecessary temporaries used for storing return values 2013-02-14 01:04:07 +00:00
Ray Speth
e04e59cdd3 Removed extraneous parentheses around arguments to 'return' 
'return' is a keyword, not a function, so these parens are unnecessary.
 2013-02-14 01:03:48 +00:00
Ray Speth
6d6e237f07 Removed unnecessary checks surrounding delete operations 2013-02-14 01:03:32 +00:00
Ray Speth
7da738d238 Re-applied consistent formatting to trunk 
Applied using: astyle -n --style=kr --add-brackets --indent=spaces=4
--indent-col1-comments --unpad-paren --pad-header --align-pointer=type
--lineend=linux
 2013-02-07 23:40:59 +00:00
Ray Speth
a5b1d1f7f6 [Reactor] Added ability to set the CVODES "MaxErrTestFails" variable 
Increasing this value (from the default of 7) will sometimes allow CVODES to
find solutions to problems that previously caused it to fail.
 2013-02-07 23:40:40 +00:00
Ray Speth
791c82b0c6 CVodesIntegrator now sets the minimum setp size when [re]initializing 2013-02-07 23:40:35 +00:00
Ray Speth
67a143f396 Refactored CVodesIntegrator to reduce redundancy when setting options 2013-02-07 23:40:31 +00:00
Ray Speth
15a45de820 Fixed some regressions in indentation consistency 
Problems with vcs_util.cpp were introduced in r1944. Problems with
NonLinearSolver.{h,cpp} were introduced in r1978.
 2013-02-01 23:40:07 +00:00
Ray Speth
9109888882 Fixed regressions in NonlinearSolver introduced in r1978 
Fixed signed/unsigned type consistency, spelling mistakes, and removed
unnecessary macros.
 2013-02-01 23:39:58 +00:00
Victor Brunini
64aef5fac7 Rename m_y_n_1 and m_ydot_n_1 to _trial to clarify their intent. 
Add setPreviousTimeStep function to set m_y_nm1 and m_ydot_nm1
so that time derivative calculations can be run for time-dependent
nonlinear solves.

Change m_ydot_nm1 to a std::vector.
 2013-01-15 20:17:00 +00:00
Victor Brunini
9b6b65fe04 Add function to DenseMatrix that multiplies two square matrices. 2013-01-07 18:18:10 +00:00
Ray Speth
382ad7ba80 Fixed compiler warnings about uninitialized values 2013-01-04 21:37:26 +00:00
Ray Speth
ee2697b4b8 Fixed a compiler error caused by ambiguous call to sqrt 2012-12-17 23:59:40 +00:00
Harry Moffat
ea25de7fe7 Continuing transfering LiquidTransport changes, doing bugfixes, and 
qualifying against our testsuite.
 2012-12-15 00:49:14 +00:00
Victor Brunini
7c70568bb3 Clean up compiler warnings. 2012-11-07 21:08:56 +00:00
Ray Speth
94d08f1d5e Removed unnecessary casts from object duplication functions 2012-10-24 15:45:33 +00:00
Ray Speth
3df93b8f4c Removed some dead code 2012-10-24 15:45:08 +00:00
Ray Speth
1d19803885 Pass "const std::string&" instead of "std::string" when possible 2012-10-24 15:42:51 +00:00
Ray Speth
8bcda61e4c Changed type of CVodesIntegrator members to eliminate unnecessary casts 2012-10-24 15:42:05 +00:00
Ray Speth
7b76e762d2 Fixed sensitivity calculation when using CVodesIntegrator::step 
Previously, the sensitivity coefficient matrix m_yS was being updated only when
the `integrate` method was used to advance the system. Now, the sensitivities
are updated when a coefficient is requested after taking a timestep, regardless
of the method used to advance the system.
 2012-10-24 15:41:59 +00:00
Ray Speth
85d9d360c7 Fixed a bunch of spelling issues 2012-08-17 16:43:34 +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
Nicholas Malaya
77bb5e15ce removing several deprecated header files from the makefile.ams. In addition, headers should now be properly installed by the make install step 2012-07-18 22:54:54 +00:00
Ray Speth
3ce3da1fa2 Fixed code formatting 2012-07-18 18:32:29 +00:00
Ray Speth
f04ac23be9 Fixed a memory leak when re-initializing a CVodesIntegrator 2012-06-27 16:12:45 +00:00
Nicholas Malaya
ece7e870b6 [cantera2.0]: fixing all the missing lapack files 2012-06-18 03:06:58 +00:00
Nicholas Malaya
92c5f5c57f [cantera2.0]: updating a few makefiles for the autotools version. Not yet working without link errors, but getting close 2012-06-18 02:29:29 +00:00
Ray Speth
d3e98fe5a8 Corrected a bunch of spelling errors 2012-05-29 21:21:47 +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
5af70f3db8 Removed keyword-substitution cruft 2012-05-24 16:29:29 +00:00
Ray Speth
d70507ad79 Fixed deletion of a bad pointer in CVodesIntegrator 
m_fdata was not initialized to 0, so if the integrator was deleted before
initialize() was called, the destructor would attempt to delete it using the
uninitialized value.
 2012-05-24 16:29:16 +00:00
Nicholas Malaya
79b29300a6 [cantera]: updating autotools build system. Library building, need to fix another test. Additionally, adding hypersonic flow transport model-- need to add hypersonic thermodynamics as well. 2012-04-25 13:18:25 +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
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
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