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.
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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
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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
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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.
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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
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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.
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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.
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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
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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
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should be reduced.
2011-08-15 00:45:16 +00:00
Harry Moffat
db3f16b6c7
Made a few member functions in MixtureFugacityTP public
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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.
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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.
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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
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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,
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it hadn't been. It now works on one test problem.
2011-07-30 03:08:10 +00:00
Harry Moffat
9d46965e7d
Added a print_lvl check to an output statement.
2011-07-25 14:44:41 +00:00
Harry Moffat
f7d87724ae
Changed the definition of the reference state of pure fluids.
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The reference state for pure fluids is defined as an ideal gas at the
current temperature of the fluid at the reference pressure.
It was defined as the real fluid properties at the current temperature
and the reference pressure. However, this definition doesn't allow
for the easy calculation of fugacities.
Added some documentation, also, concerning the standard state
definition.
2011-07-23 19:39:08 +00:00
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
198ab18640
Added a needed function
2011-05-02 16:13:03 +00:00
Harry Moffat
ac660e53c0
Added cholesky decomp routines.
2011-04-29 23:07:27 +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
24ac9bd133
Added in condition number routines for triangular matrices
2011-04-28 20:56:02 +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
60ae1d2c11
Small rebaseline for roundoff error
2011-04-19 16:45:04 +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
36b44fd278
Fixed a Makefile error.
2011-04-18 16:46:40 +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
