Harry Moffat
368cdc8167
Took namespaces out of headers
2011-03-28 20:49:24 +00:00
Harry Moffat
566fcdea0c
Took out namespaces from headers.
2011-03-28 20:41:51 +00:00
Harry Moffat
d7a00c9126
Took out namespaces from headers.
2011-03-28 20:39:34 +00:00
Harry Moffat
361c8f655b
Took out namespaces from headers
2011-03-28 20:29:33 +00:00
Harry Moffat
5de392c0a6
Took out namespaces from headers.
2011-03-28 20:18:37 +00:00
Harry Moffat
905abc99af
put in namespace line
2011-03-28 20:09:51 +00:00
Harry Moffat
2d5f8c4a45
took out namespaces from headers
2011-03-28 20:08:31 +00:00
Harry Moffat
d1bc1e273c
Took out namespaces in headers.
2011-03-28 19:51:35 +00:00
Harry Moffat
0b4c221f14
Added documentation for the class
2011-03-25 18:46:04 +00:00
Harry Moffat
30d59b8c49
Added a new ThermoPhase object.
...
This one, PhaseCombo_Interaction, is based on the Margules object.
However, it eliminates the ideal solution mixing term. Therefore,
zero mole fractions are possible. Needed for the thermal battery program.
It may have some semblance of physical meaning or it may not. This
has yet to be worked out.
2011-03-24 18:43:36 +00:00
Harry Moffat
f3bec02808
A reworking of the LatticePhase and LatticeSolidPhase classes.
2011-03-11 00:10:50 +00:00
Harry Moffat
c3847347e8
Updated to reflect the renewal of the copywrite
2011-03-11 00:04:38 +00:00
Harry Moffat
f1669ba3e2
Got the dog leg algorithm into a working state, at least on one problem.
2011-02-22 18:50:54 +00:00
Harry Moffat
af4b40d9c3
Fixed the expectedResidLeg() routine. There was an error in there
2011-02-22 00:21:17 +00:00
Harry Moffat
144c6b23bd
Another delta on the dogleg implementation of the nonlinear solver.
...
Added lapack routines for calculation of condition number and to
fill out the QR factorization capability.
2011-02-19 00:08:29 +00:00
Harry Moffat
08716fa3f1
Make sure that phaseIsStable flag is set correctly
2011-02-18 23:04:50 +00:00
Harry Moffat
6dd143640c
Incremental progress on dogleg
2011-02-18 20:25:53 +00:00
Harry Moffat
3996c38b3c
Changed the residual weights formula
2011-02-16 17:46:28 +00:00
Harry Moffat
80227d3314
More work on dogleg algorithm
2011-02-16 16:40:02 +00:00
Harry Moffat
96880bae26
Worked on trust region calculcations
2011-02-15 17:09:03 +00:00
Harry Moffat
6a902abd24
More work on the dogleg option. Figured out and verified the calculation
...
of the steepest direction when there are scaled residuals and
scaled solution variables.
2011-02-15 02:57:34 +00:00
Harry Moffat
ecc2d271c9
Worked on verifying the steepest descent calculation
2011-02-12 03:36:24 +00:00
Harry Moffat
0c178dbdd8
Prototyping a Dogleg method.
...
Added in the calcualtion of the steepest descent and the Cauchy point
2011-02-10 20:59:53 +00:00
Harry Moffat
3dbe5d658f
Fixed an error in the rootsolver
2011-02-02 05:33:29 +00:00
Harry Moffat
8dc95dfbc1
Added accessor functions for phaseStability and phaseExistence()
2011-02-01 19:08:28 +00:00
Harry Moffat
60194831c1
Added a copy constructor and an assignment operator
2011-01-12 20:55:07 +00:00
Harry Moffat
bab66a8b89
Doxygen update
2011-01-12 00:52:01 +00:00
Harry Moffat
f493f8f39a
Doxygen update
2011-01-11 17:34:31 +00:00
Harry Moffat
3a63c938ea
Added a few more files
2011-01-11 15:27:59 +00:00
Harry Moffat
14bf2b1ee2
Started putting these files into the standard form.
...
Started eliminating doxygen errors.
2011-01-10 23:22:19 +00:00
Harry Moffat
f727cd44af
Added in a more robust treatment of handling limits
2011-01-05 03:55:13 +00:00
Harry Moffat
a36864543a
Got rid of a print statement.
2011-01-04 23:02:07 +00:00
Harry Moffat
b1750d579a
Added return variables to a lot of Residual evaluation functions.
...
These are now used by the nonlinear solver to bail if the residual
says to bail.
2011-01-04 22:04:59 +00:00
Harry Moffat
5395e214b8
Fixed a doxygen error.
2010-12-31 23:54:29 +00:00
Harry Moffat
eb35f9e253
Some changes to reduce extra printing
...
Some changes due to a bad algorithm - Known - need to fix this.
2010-12-31 23:20:55 +00:00
Harry Moffat
8c4d47f59c
Fixed an error in the phase stability calculation
2010-12-18 18:26:16 +00:00
Harry Moffat
fc7b7e8dc6
Initial attempt at exposing the phase stability routine to the
...
outside without actually doing an equilibrium solution.
2010-12-16 22:44:29 +00:00
Harry Moffat
32816b1fa7
Incremental commit of new ability to determine phase stability
...
without actually solving the equilibrium equations.
2010-12-15 20:20:13 +00:00
Harry Moffat
e10fa97af0
Added the phaseIsStable idea
2010-12-15 02:54:08 +00:00
Harry Moffat
73d8df7f4c
Tightend up the tolerances on the nonlinear solvers.
2010-12-15 02:15:27 +00:00
Harry Moffat
ec8bbc5be2
Fixed the help section to be in line with what the code actually does.
2010-12-14 23:56:12 +00:00
Harry Moffat
d5f44a5e6b
ResidJacEval:
...
Added in support for returning a failure condition from calcDeltaSolnVariables()
NonLinearSolver:
Added in support for returning a failure condition from bueler_jac().
Added in a call to return an editable bounds constraint vector.
DenseMatrix:
Added in comments about error handling from LAPACK routines.
mdp_allo:
Added in a new routine, mdp_zero_int_1
thermo.h
electrolyteThermo.h
Started to add in ifdef blocks. These are not handled correctly currently.
2010-12-07 18:05:25 +00:00
Harry Moffat
44e03fcf79
Basic upgrade to the DenseMatrix Class.
...
We've added a capability to change the handling of singular matrix
conditions.
Options exist to either throw an exception or return an error code.
Options exist to print out a warning or to not print out anything.
2010-11-30 15:33:50 +00:00
Harry Moffat
2e50b8a929
Fixed an error. The m_speciesData XML tree wasn't being created.
...
I created one in the constructor.
2010-11-18 03:09:45 +00:00
Harry Moffat
1f53f7db72
Fixed minimal python build.
2010-11-15 22:34:21 +00:00
Harry Moffat
3e0d9cef21
Fixed an error that crept in from the recent merge
2010-11-12 22:06:23 +00:00
Harry Moffat
ff3ebb25c2
Merge of the main branch into the LiquidTransportDevelop branch.
2010-11-12 21:37:41 +00:00
Harry Moffat
c3405dad33
Added a file
2010-11-12 20:06:53 +00:00
Harry Moffat
b6e1b14216
Deleted a file
2010-11-12 20:00:56 +00:00
Harry Moffat
fa56309462
Modifications to the Makefiles to make the THREAD_SAFE_CANTERA ifdef
...
block work again.
2010-11-12 19:18:49 +00:00
