Harry Moffat
ff7e66e5a3
This update adds in a Multicomponent Real Gas capability to Cantera.
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The Object is called RedlichKwongMFTP, and it implements a multicomponent real gas approximation.
Most of the functionality has been verified against sample problems involving the CO2-H2O system.
2011-07-23 00:30:35 +00:00
John Hewson
1982d0c928
Changed return flags for errors to be unique to each return condition.
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Hopefully this will help track down convergence problems.
2011-07-15 23:27:45 +00:00
Harry Moffat
68ed8ad548
Guarded against a divide by zero that occurred when the cauchy step
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size and residual were exactly zero.
2011-05-30 22:19:39 +00:00
Harry Moffat
4d245501cf
Update on the NonlinearSolver:
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Update to :calcSolnToResNormVector() to align it with documentation.
2011-05-30 17:57:53 +00:00
Harry Moffat
8710440a1f
Another incremental update
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- decideStep() has been documented and checked out
2011-05-28 02:51:49 +00:00
Harry Moffat
425085627b
Incremental work. Fixed one error in an output variable.
2011-05-28 00:18:33 +00:00
Harry Moffat
6eccfa16ed
Worked on getting the Affine solve capability working.
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This is now working, so that we can switch to a Hessian with junk on the
diagonal when there is a condition number problem.
2011-05-17 00:45:08 +00:00
Harry Moffat
e110f91a12
Added hooks for cholesky factorization
2011-05-02 16:13:59 +00:00
Harry Moffat
701dd1e1cd
Added in the estimation of condition numbers for QR factored matrices.
2011-04-28 20:56:41 +00:00
Harry Moffat
7f485a0ba3
Worked on reducing the Print outs for DEBUG_DOGLEG option
2011-04-28 17:10:32 +00:00
Harry Moffat
d60d189843
Fixed a bad error that crept into the solver from a recent commit
2011-04-19 16:41:45 +00:00
Harry Moffat
1207d95824
Changed the algorithm slightly
2011-04-15 14:53:07 +00:00
Harry Moffat
5f73e33c9e
Changed the algorithms a little bit to accomodate PhaseCombo, which
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doesn't have an ideal mixing term. This caused problems in places.
2011-04-14 18:25:24 +00:00
Harry Moffat
59a800218f
Changed getdlnActCoeffdlnN to be nonconst.
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added getdlnActCoeffdlnN_numderiv() function
2011-04-14 18:24:13 +00:00
Harry Moffat
155d7604b5
Verified that the QR factorization works on one problem.
2011-04-07 16:14:00 +00:00
Harry Moffat
7d4222eedf
Fixed errors that were preventing linking.
2011-04-06 23:38:14 +00:00
Harry Moffat
68768e56e7
Another iteration to get the QR solve up to speed
2011-04-06 16:26:32 +00:00
Harry Moffat
fa30f63056
Added QR factorization algorithms to Cantera's fortran interface
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within the numerics directory.
2011-04-06 15:40:04 +00:00
Harry Moffat
3994bb9438
Started an ifdef block for intermediate zeroed phases in kinetics objects.
2011-04-04 23:01:42 +00:00
Harry Moffat
2abd551d71
Took out all using namespace calls from headers.
2011-03-28 21:12:25 +00:00
Harry Moffat
fc816aefb6
Fixed namespace issues.
2011-03-28 21:00:26 +00:00
Harry Moffat
fc168e47ab
Fixes due to namespace isues.
2011-03-28 20:52:35 +00:00
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
0b4c221f14
Added documentation for the class
2011-03-25 18:46:04 +00:00
Harry Moffat
30d59b8c49
Added a new ThermoPhase object.
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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
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.
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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
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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.
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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
14bf2b1ee2
Started putting these files into the standard form.
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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
