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Author SHA1 Message Date
Harry Moffat
5f01cc30bb Worked on MolarityIonicVPSSTP, filling it in a little bit. 
Changed GibbsExcessVPSSTP so that getLnActivityCoefficient() is central.
The straight activity coefficients may not be representable within
machine limits.
 2011-11-01 21:09:58 +00:00
Harry Moffat
5d1e55596d Added the RedlichKisterVPSSTP thermo model to the system. 
Fixed an error in MultiPhase that Carlos found.
 2011-10-31 22:05:07 +00:00
Harry Moffat
2560431f07 Added a printTime option to writeStats() to turn off time printing 
in output files.

Started moving blocks around in configure.in, and fixed an error
that corrupted FLIBS.
 2011-10-25 16:02:05 +00:00
Harry Moffat
974fecdd5a Fixed this test case as an example. 
Took the timing out of the blessed solution
  The solution stayed the same.
 2011-10-25 15:57:20 +00:00
Harry Moffat
b80d34b66e Fixed a memory leak. 
The gastran object is now officially owned by the dusty gas tran
object.
 2011-10-20 17:14:57 +00:00
Harry Moffat
aa623afbd3 Fixed runtest 2011-10-20 14:51:43 +00:00
Harry Moffat
2191ad93e5 Fixed runtest 2011-10-20 14:49:19 +00:00
Harry Moffat
b9c9f81761 Made the BandMatrix class and SquareMatrix inherit from a common 
parent so that they can be used interchangeably in other software.

Removed PsuedBinaryVPSSTP in favor of MolarityIonicVPSSTP
 2011-10-19 20:45:06 +00:00
Harry Moffat
0d74e7ddd0 Added namespace to get it to compile 2011-10-19 19:28:56 +00:00
Harry Moffat
695868ef38 Added namespace to get it to compile 2011-10-19 19:24:37 +00:00
Harry Moffat
8efa87d791 Added namespace to get it to compile 2011-10-19 17:11:21 +00:00
Harry Moffat
5b06c6b289 Added namespaces so that it would compile. 2011-10-19 17:05:45 +00:00
Harry Moffat
a292978c08 Added apps/lib apps/include and apps/bin to the install directory 
structure
 2011-10-19 15:40:13 +00:00
Harry Moffat
e8d6649c7b Doxygen updates 
-> Also moved implementation functions for BandMatrix into the cpp file
 2011-10-13 21:16:06 +00:00
Harry Moffat
6cf9c46630 Worked on lvl 4 printouts 2011-10-10 16:51:52 +00:00
Harry Moffat
7d63cd24d4 Fixed the trust region calculation 2011-10-08 01:02:29 +00:00
Harry Moffat
a510731dca Fixed a column scaling error for the dogleg method 2011-10-05 17:30:08 +00:00
Harry Moffat
6a3c7eabd4 Added a getMoleFraction to GibbsExcess at the start of the 
calculation. Want the mole fraction to be synched at all times.
 2011-10-04 23:33:58 +00:00
Harry Moffat
788697405f Added documentation 2011-10-04 23:32:13 +00:00
Harry Moffat
9197a283b6 Stable intermediate step. Working on a new test problem where 
the Newton direction is fouled up by a large condition number.
 2011-10-04 21:48:11 +00:00
Harry Moffat
9af9a3e702 Made the double dogleg capability operational. It can now be used by users reliably. 2011-09-29 23:11:12 +00:00
Harry Moffat
d153aa8c0a Fixed an error in the specification of a list length. 2011-09-23 21:20:09 +00:00
Harry Moffat
d251da7a84 Revamped the rootfinder algorithm. 
Behavior is substantially different.
A summary table is now written out at the end of the solve for
some print levels.
 2011-09-23 20:31:17 +00:00
Harry Moffat
445adce8fc Doxygen changes 2011-09-21 16:40:51 +00:00
Harry Moffat
7bb60ff596 Doxygen changes. 2011-09-21 16:36:49 +00:00
Harry Moffat
fd1e408f25 Doxygen change 
Changed a function to be const
 2011-09-21 16:18:26 +00:00
Harry Moffat
436bed3868 Added doxygen fixes 2011-09-21 01:03:45 +00:00
Harry Moffat
626660102c Added a manual check for the satisfaction of Reaction Matrix's 
ability to conserve elements.
 2011-09-20 23:41:17 +00:00
Harry Moffat
49ad882efc Added derivatives of molar volume wrt T and P to the main interface. 2011-09-20 23:32:53 +00:00
Harry Moffat
cf730962a6 Protected against sundials not being compiled in 2011-09-13 23:32:29 +00:00
Harry Moffat
c58697dbd3 Replaced mlequ with gaussj full pivoting in a few spots. 
There were no changes above numerical roundoff in the test suite.
 2011-09-13 18:32:08 +00:00
Harry Moffat
b1b6dd945c Fixed some pivoting issues in mlequ. I've encountered a stoich matrix that 
causes this routine to signal a singular matrix when it isn't.
This iteration uses a row swapping algorithm to get rid of the problem.
Next, I'll add a gauss-jordon (with full pivoting) algorithm on top
of the row swapping algorithm.
 2011-09-13 17:49:33 +00:00
Harry Moffat
d2272b3707 Initialization for trust regions firmed up. 
Same results for the second time into the function as the first.
 2011-09-12 15:59:52 +00:00
Harry Moffat
492a814e9d Fixed an error in mdp_init_ functions 2011-09-12 15:26:28 +00:00
Harry Moffat
93d5d43a19 More cleanup 2011-09-09 21:32:50 +00:00
Harry Moffat
4d2e6b65bb Updates to the internals, trying to simplify 2011-09-09 19:16:36 +00:00
Harry Moffat
2703130a7a Started working on the documentation and cleanup of the dogleg method. 
Now possible to run the algorithm without the DEBUG_DOGLEG block on.
 2011-09-08 02:07:02 +00:00
John Hewson
8de54e200d There was a disagreement between the name of 
getElectricConduct between the base and LiquidTransport 
class.  Since the LiquidTransport class uses it, 
the base is now compatible with it.
 2011-09-03 01:00:25 +00:00
Harry Moffat
6fca9189da Added back conditional printing 2011-08-30 15:56:00 +00:00
John Hewson
58a0f42ef0 Added "export WITH_REAL_GASSES" and set default to 'y' 2011-08-24 18:50:45 +00:00
Harry Moffat
36a56093d1 Buf fixes for handling boundaries. 2011-08-15 03:57:40 +00:00
Harry Moffat
d617f43013 Added a capability to turn off writing separate log files 2011-08-15 00:54:18 +00:00
Harry Moffat
efd58ec5b7 Tweaked the algorithm in several ways. The amount of unusual behavior 
should be reduced.
 2011-08-15 00:45:16 +00:00
Harry Moffat
db3f16b6c7 Made a few member functions in MixtureFugacityTP public 
fixed an error in IonsFromNeutralVPSSTP. a member function used by the equilibrium sovler
was missing.
 2011-08-10 01:37:12 +00:00
Harry Moffat
d660415067 Rebaselined. 2011-08-01 22:07:28 +00:00
Harry Moffat
78eb7b4127 More integration of IDA into Cantera. 
added cj parameter to some existing routines.
  Added correct delta_t to the parameter list of  ResidJacEval object
 2011-08-01 15:26:20 +00:00
Harry Moffat
2f97180753 Fixed an error in the IDA_Solver class. 
Added an analytical jacobian capability to IDA_Solver.
Added column pointers as a member to DenseMatrix
 2011-07-31 23:44:45 +00:00
Harry Moffat
82e194a2b0 Added column pointers as a member to this object. This is 
needed for linking in sundance more closely.
 2011-07-31 18:58:19 +00:00
Harry Moffat
d2f885acd5 added the ida solver 2011-07-30 03:17:00 +00:00
Harry Moffat
2082b57699 Worked on getting the IDA_Solver interface operable. Previously, 
it hadn't been. It now works on one test problem.
 2011-07-30 03:08:10 +00:00