Harry Moffat
12b6f572e6
Added in a new Residual evaluation type, Base_LaggedSolutionComponents,
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to properly handle Picard iterations within the damping algorithm.
2010-11-08 22:22:13 +00:00
Harry Moffat
154b234da9
Added a printout of the jacobian, when an ifdef block is turned on.
2010-11-05 19:44:05 +00:00
Harry Moffat
c44b477285
Fixed an error in the specification of m_deltaBoundsMagnitudes
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Made the residual check in dampStep a lot harder to satisfy.
2010-11-02 15:44:09 +00:00
Harry Moffat
7fc2841f85
Fixed an error in vcs_solve_TP. m_tPhaseMoles_new wasn't set
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before being used.
2010-10-28 01:33:54 +00:00
Harry Moffat
c7ce446b32
Added a special constructor for setting the element potential directly.
2010-10-27 21:07:51 +00:00
Harry Moffat
9373fe02f7
These routines needed std:: added to the arguments and function bodies
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of std c++ library calls.
2010-10-27 21:07:15 +00:00
Harry Moffat
a96f865403
Added FixedChemPotSSTP object.
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This is a utility object that will provide a bath species at a certain
chemical potential to the equilibrium solver.
2010-10-27 17:00:46 +00:00
Harry Moffat
13f151a358
Modification to the structure of solve_TP()
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Took the special case of SS species deletion in RxnStep and moved
it into the main routine. It now counts as an interation step.
I'm trying to simplify the structure of the program.
2010-10-25 22:12:55 +00:00
Harry Moffat
1bdee90289
Fixed an error that occured when components of multispecies
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phases were zeroed because other phases were being zeroed.
Then the noncomponents of that same multispecies phase could
comprise the entire phase and the Hessian diagonal would then be
zero. The fix to zero the species seems to work.
2010-10-23 01:35:10 +00:00
Harry Moffat
f26ff94525
Changed NaCl_equil printouts due to rebaseline.
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Fixed Makefile error
2010-10-22 22:30:24 +00:00
Harry Moffat
7632281197
Changed table at the start of debug printing
2010-10-22 20:18:10 +00:00
Harry Moffat
e23a780629
Added missing functions from PureFluidPhase
2010-10-20 18:18:05 +00:00
Harry Moffat
550c33c628
Added a getDeltaElectrochemPotentials() member function
2010-10-18 19:27:06 +00:00
Harry Moffat
78b2d5689c
Took out an unneeded m_atol call that wasn't necessary and caused
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problems with numerical deltas.
2010-10-15 21:02:19 +00:00
Harry Moffat
43c4d1215c
Fixed a printLvl error
2010-10-15 18:33:57 +00:00
Harry Moffat
fad1f9f7ff
Added hooks for rtol and max newton iterations
2010-10-14 22:34:59 +00:00
Harry Moffat
97f326a628
Tightened the convergence tolerances
2010-10-14 02:44:23 +00:00
Christopher Lueth
9630216f3e
Fixed nan problem if m_normResid0 = 0.0 at line 965
2010-10-13 22:06:03 +00:00
Harry Moffat
ae989985eb
Added a hook for specifying atol
2010-10-13 16:58:34 +00:00
Harry Moffat
1d0ba2d3b8
Changed the interface for ResidJacEval.
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Updated NonlinearSolver with a lot of heuristic algorithm changes.
2010-10-08 17:16:25 +00:00
Harry Moffat
7905ea977f
Rebaselined some test problems.
2010-10-04 23:00:26 +00:00
Harry Moffat
452e8a4957
Added DenseMatrix
2010-10-04 22:57:34 +00:00
Harry Moffat
367d1f90b0
Small changes that I found improved things
2010-10-02 04:51:00 +00:00
Harry Moffat
6baf8238b6
Added functions to PureFluidPhase.
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Added a read of p0 for shomate. Note, we still are not honoring
that value. This will change most computed results when we change this.
2010-10-02 04:47:22 +00:00
Harry Moffat
1522cded0a
Modest improvements to the routine. Still has a long way to go
2010-09-29 23:01:05 +00:00
Harry Moffat
fd62251e6f
Added a capability to expose the comment field.
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nChildren now takes an argument (has a default) to ignore comments.
2010-09-21 16:03:45 +00:00
Harry Moffat
3446c33520
fixed an error in the reading of the XML file.
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Comments in the <thermo> node of a file would create error conditions.
Now, you can add comments anywhere and there shouldn't be any
runtime differences.
2010-09-21 15:52:27 +00:00
Harry Moffat
4ccbaed862
Doxygen update for DenseMatrix
2010-09-16 20:23:56 +00:00
Christopher Lueth
0950fbe256
in gibbs() added if (moles>0) statement
2010-08-30 21:23:17 +00:00
Harry Moffat
d8caa353a0
Doxygen updates
2010-08-23 18:00:01 +00:00
Harry Moffat
9a8fe5b47e
doxygen changes
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doxygen has troubles differentiating between Cantera::vector_fp and
std::vector<doublereal>. I don't know what to do.
2010-08-23 17:59:37 +00:00
Harry Moffat
92e460ca17
doxygen updates
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Changed the hame of setLatticeMoleFraction to setLatticeMoleFractionByName
2010-08-23 17:43:43 +00:00
Harry Moffat
21ebf88766
Doxygen update
2010-08-22 17:46:08 +00:00
Harry Moffat
1baff10c03
Doxygen update
2010-08-21 16:41:46 +00:00
Harry Moffat
d1e27613c3
doxygen update
2010-08-20 15:47:29 +00:00
Harry Moffat
039b01cbe3
Doxygen update
2010-08-20 15:40:08 +00:00
Harry Moffat
fc7c88ab91
Doxygen update
2010-08-19 15:27:15 +00:00
Harry Moffat
4ec5327086
Doxygen update
2010-08-19 00:30:18 +00:00
Harry Moffat
6d766926bd
Updated this object
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Put in the standard copy constructors and assignment operators
Started documenting it.
2010-08-17 22:48:59 +00:00
Harry Moffat
f525d742f3
Added keywords control
2010-08-17 01:04:55 +00:00
Harry Moffat
36e90d5df5
Changed the enum name Liquid_TR_Model to LTPTemperatureDepencenceType
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doxygen update
2010-08-17 00:58:23 +00:00
Harry Moffat
438fea4660
Doxygen update
2010-08-16 20:01:30 +00:00
Harry Moffat
d6fbf98862
Added a gcc4.4.4. compile example
2010-08-14 22:15:17 +00:00
Harry Moffat
afd51b53e3
Added an include for 4.4.4 support
2010-08-14 20:53:35 +00:00
Harry Moffat
cd9262501a
Added some files.
2010-08-14 19:30:17 +00:00
Harry Moffat
83d0bbf7c7
doxygen update
2010-08-14 19:25:53 +00:00
Harry Moffat
95fd7f0b76
Doxygen update
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Rearrangement of LTPspecies to put more routines in .cpp files
2010-08-14 19:19:43 +00:00
Harry Moffat
6ab225ebdf
Changed the enum name from TransportPropertyList to TransportPropertyType
2010-08-14 18:33:37 +00:00
Harry Moffat
741d094065
Updated the test
2010-08-14 18:29:39 +00:00
Harry Moffat
57a2ca965d
doxygen update
2010-08-14 18:02:39 +00:00
