Harry Moffat
d2358f1818
On the road to a better scheme for handling the deletion of
...
multispecies phases.
2008-08-18 23:17:18 +00:00
Harry Moffat
180b693de5
rebaselined.
2008-08-17 21:25:44 +00:00
Harry Moffat
e72d7a7cf6
Working towards a more robust treatment of phase stability.
2008-08-17 21:19:04 +00:00
Dave Goodwin
3793f5dfac
*** empty log message ***
2008-08-13 20:59:12 +00:00
Harry Moffat
6f985cdc78
vcs_VolPhase update: Made more members private
2008-08-07 23:40:52 +00:00
Harry Moffat
0b6ccbcbef
vcs_volPhase upgrade: more members are private
2008-08-01 16:05:38 +00:00
Harry Moffat
070f994c6e
Added a test for finding an input file. Previous behavior was to core
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dump.
2008-08-01 16:04:58 +00:00
Harry Moffat
681a4aea6a
vcs_VolPhase: Made more members private
2008-07-31 22:33:19 +00:00
Harry Moffat
a04b9570ac
trivial changes
2008-07-30 19:03:39 +00:00
Harry Moffat
fae139765e
Propagated the FTN_TRAILING_UNDERSCORE concept to the dpolft_ and
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dpcoef_ fortran functions referenced in funcs.cpp . The previous
treatment didn't honor the value of FTN_TRAILING_UNDERSCORE.
So, if a different source for the SLATEC routines than the one in
ext/math was used, this may have caused some conflict.
Also, worked up the doxygen documentation for routines in funcs.cpp.
This Fix was suggested by Dave Glaze.
2008-07-30 16:48:25 +00:00
Harry Moffat
2ba2271125
Turned on the setting of FTN_TRAILING_UNDERSCORE, LAPACK_FTN_STRING_LEN_AT_END,
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LAPACK_NAME_LOWERCASE, and LAPACK_FTN_TRAILING_UNDERSCORE in the
config.h.in file. Previously they defaulted to being "defined". Now
they are user-configurable, with the default being that they are
"defined".
2008-07-30 15:48:52 +00:00
Harry Moffat
a441bbf272
Put in a scale factor for mole number within the nondimensionalization
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routines. Now, the code can solve equilibrium problems for virtually
any range of total mole numbers.
2008-07-29 16:23:29 +00:00
Harry Moffat
e91bdbe60d
Bug fixes related to deleting multispecies phases.
2008-07-25 20:12:05 +00:00
Harry Moffat
3df90ebff6
vcs_volPhase update: more members are private
2008-07-22 19:40:57 +00:00
Harry Moffat
081f98bdbd
vcs_VolPhase upgrade: making more data private
2008-07-22 16:23:55 +00:00
Harry Moffat
7f28666169
vcs_VolPhase upgrade: more private data
2008-07-22 15:10:01 +00:00
Harry Moffat
f494e6ee78
vcs_Volphase update: eliminating more members and simplifying.
2008-07-03 23:24:04 +00:00
Harry Moffat
2fe5039614
vcs_volPhase update: Made more members private.
2008-06-27 16:33:49 +00:00
Harry Moffat
92450201d1
Fixed a compile error that was found on a mac build using intel's 10.1
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compilers.
2008-06-27 15:16:32 +00:00
Harry Moffat
62133ce1b4
vcs_VolPhase update: Made more members private
2008-06-26 17:51:11 +00:00
Harry Moffat
4e051200f8
Rebaselined test problem.
2008-06-26 17:49:59 +00:00
Harry Moffat
d16c113e55
Fixed an error that appeared under gcc 4.2.1
2008-06-26 15:05:30 +00:00
Harry Moffat
406df131ff
Started relying on flags to update vcs_VolPhase objects.
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Eliminated chaff from program.
2008-06-25 21:59:27 +00:00
Harry Moffat
85a55c7c44
vcs_VolPhase: made more member data private, and eliminated some unused
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member data
2008-06-25 16:40:55 +00:00
Harry Moffat
2a07341974
vcs_VolPhase update: Made more functions private and/or const
2008-06-24 16:18:24 +00:00
Harry Moffat
ba49020585
vcs_VolPhase: incremental update to make more member data private.
2008-06-23 23:40:20 +00:00
Harry Moffat
2057b2007a
Internal rearrangement of vcs_VolPhase to handle setState StateCalc concepts.
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(incremental)
2008-06-20 16:17:46 +00:00
Harry Moffat
59481c2808
Rebaselined.
2008-06-18 22:23:25 +00:00
Harry Moffat
ac0aa34b32
Took the line search algorithm out , and put it into an ifdef block.
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It's not needed.
2008-06-18 22:23:05 +00:00
Harry Moffat
7a76bf5444
Incremental update to get vcs_volPhase to use setState and stateCalc
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concepts.
2008-06-17 15:45:36 +00:00
Harry Moffat
0bd6ae596d
Added stateCalc to some vcs_VolPhase functions. This is work in progress.
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deltaGrxn() is now always based on irxn index.
2008-06-16 16:25:01 +00:00
Harry Moffat
045b4110e8
vcs_VolPhase updates to enable a more efficient StateCalc capability:
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incremental update that passes test suite.
task id# 1992186
2008-06-12 20:45:20 +00:00
Harry Moffat
53fa07bbdc
Another iteration with vcs_VolPhase: getting it to use private data,
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setState concept and StateCalc concepts.
2008-06-12 16:00:36 +00:00
Harry Moffat
451520d238
Started to reorganize vcs_VolPhase to be more efficient.
2008-06-11 17:14:33 +00:00
Harry Moffat
6ae0644756
Cleaned up minor_alt_calc()
2008-06-05 20:21:09 +00:00
Harry Moffat
4ec3b6bf62
Changed the algorithm within minor_alt_calc() to be more aggressive
2008-06-05 15:47:13 +00:00
Harry Moffat
e3620348ee
Rebaselined due to reduction in iterations.
2008-06-05 14:31:17 +00:00
Harry Moffat
5b3e1c0dee
Tweaked the minor_alt_calc() to make the program more efficient.
2008-06-04 19:55:34 +00:00
Harry Moffat
bc17096919
changed the interface for vcs_dfe() and cleaned up stateCalc work
2008-06-04 16:58:56 +00:00
Harry Moffat
1c6001af01
Took out m_feSpecies_curr. It was confusing and violated stateCalc
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concept.
2008-06-03 21:35:53 +00:00
Harry Moffat
f14cf81569
Incremental update installing stateCalc concept
2008-06-03 16:15:24 +00:00
Harry Moffat
2ddf9a409f
Worked on making sure that vcs_deltag() adhered to the STATECALC concept.
2008-06-02 23:24:32 +00:00
Harry Moffat
beadead8b6
Eliminated a special case where a single species phase is zeroed out
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in a special way that doesn't follow the usual pattern. Trying to
get rid of special case handling.
2008-05-30 17:22:44 +00:00
Harry Moffat
8126059aab
Fixed a problem with requesting basopt too much when there are
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interfacial voltages.
2008-05-29 19:04:57 +00:00
Harry Moffat
f90580815f
Fixed an error with the calculation of the total gibbs free energy
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and the damping algorithm when there are unknowns representing
interface voltages at electrodes.
2008-05-29 16:22:15 +00:00
Harry Moffat
460225e589
Started to revamp vcs_deltag() with state variable
2008-05-29 00:16:39 +00:00
Harry Moffat
aea7acd086
documentation update
2008-05-26 15:26:18 +00:00
Harry Moffat
35819862c8
documentation update
2008-05-26 15:26:18 +00:00
Harry Moffat
af1828a83c
documentation update only.
2008-05-22 18:45:40 +00:00
Harry Moffat
0482fc63f4
Documentation update only.
2008-05-21 22:20:08 +00:00
