Harry Moffat
aea7acd086
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
7dae72e17a
Documentation changes only
2008-05-20 22:15:24 +00:00
Harry Moffat
c802622c91
Just a documentation and formatting update
2008-05-20 18:56:54 +00:00
Harry Moffat
884d2fc084
Changed major-minor flags after a species is born.
2008-05-19 23:10:04 +00:00
Harry Moffat
56245f6094
eliminated commented out code
2008-05-19 21:23:59 +00:00
Harry Moffat
6065f17b45
Modified the algorithm to produce less minor-major species swaps.
2008-05-19 21:21:40 +00:00
Harry Moffat
f344c89131
vcs_species_type() cleaned up. algorithm was tweaked.
2008-05-18 18:49:56 +00:00
Harry Moffat
61a3d2b2c4
Variable name changing. no change in algorithm
2008-05-18 15:37:20 +00:00
Harry Moffat
7a99ca115f
Name changes on variables, only
2008-05-17 23:52:13 +00:00
Harry Moffat
431eb16260
Variable name changing only
2008-05-16 22:00:16 +00:00
Harry Moffat
c76d8b7504
Changed names of variables.
2008-05-16 21:18:29 +00:00
Harry Moffat
7b4b970253
Name changes only
2008-05-16 15:25:08 +00:00
Harry Moffat
66a341d868
Variable name changes involving activity coefficients
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Some changes from m_actCoefSpecies_new to m_actCoeffSpecies_old
2008-05-14 20:03:57 +00:00
Harry Moffat
f741f96b3c
More variable and documentation checks.
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Added the VCS_STATECALC_ defines. Will try to clean up the evaluation
of phase properties using this concept.
2008-05-14 16:50:34 +00:00
Harry Moffat
6f07cb109e
variable name changes
2008-05-13 17:15:49 +00:00
Harry Moffat
984c221c21
documentation update
2008-05-12 20:03:37 +00:00
Harry Moffat
9fcced29d0
Changed names of some variables.
2008-05-12 19:37:01 +00:00
Harry Moffat
03a1f8dca2
variable name changes and documentation update
2008-05-09 19:57:09 +00:00
Harry Moffat
64cc610513
Changed names of variables
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Added and updated documentation
2008-05-07 17:05:11 +00:00
Harry Moffat
dd4151b6b0
Compile errors found on the sun
2008-05-06 17:12:23 +00:00
Harry Moffat
9da8402543
Changed the interface to allow values of 0, 1, and -1 for
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estimateEquil.
0 don't estimate
1 estimate only if element abundances aren't satisfied
-1 always estimate.
2008-05-06 16:53:37 +00:00
Harry Moffat
7b4e4ec1c4
Simplify treatment of units within the equilibrium solver
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-> always assumes numbers are in kmol
-> always assumes pressures are in pascal
-> always assumes volumes are in m**3
2008-04-28 16:08:35 +00:00
Harry Moffat
6667d79319
Changed variable names.
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Fixed an error with the print out of the pressure units.
2008-04-25 02:38:38 +00:00
Harry Moffat
afd90fb206
change of variable names
2008-04-25 00:28:38 +00:00
Harry Moffat
0f4c0a3f7c
Changed variable names
2008-04-23 16:08:16 +00:00
Harry Moffat
4769e38ac0
Changed variable names
2008-04-23 15:19:24 +00:00
Harry Moffat
6b660b30c9
Changed variable names.
2008-04-22 22:50:33 +00:00
Harry Moffat
573ec09d45
Changed variable names.
2008-04-22 22:25:11 +00:00
Harry Moffat
90bf6f92d7
Changed names of some variables.
2008-04-22 20:46:17 +00:00
Harry Moffat
5ee0f16d88
Changed names of a variable.
2008-04-21 19:27:07 +00:00
Harry Moffat
75c11d40b3
Changed the name of a variable.
2008-04-21 16:50:26 +00:00
Harry Moffat
69e42f89cc
Changed the name of a variable.
2008-04-18 22:21:47 +00:00
Harry Moffat
a10cf07683
Changed the name of one variable.
2008-04-18 21:14:05 +00:00
Harry Moffat
1f8618f090
Changed a variable name
2008-04-18 20:56:59 +00:00
Harry Moffat
b9533bcf34
Changed name of a variable.
2008-04-17 16:53:17 +00:00
Harry Moffat
e58194df44
Fixed logic errors in the return code
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Tweaked the algorithm that decides which species are components.
Stoichiometric phase species are now favored.
2008-04-16 19:19:01 +00:00
Harry Moffat
daa479d4f7
Changed the algorithm for picking the component basis.
...
It used to be that the components were picked based on the magnitude
of their mole numbers. I changed this to the magnitude of the
mole numbers multiplied by the # elements in the species.
On one problem, a heptane combustion mechanism, this reduced the
number of iterations in the VCS algorithm from 1080 to 40. Obviously,
the convergence rate within the VCS method
depends on the ID of the components. This change should be considered
as a trial balloon. It may fall apart on some other problem.
I may be forestalling the obvious here. The more complete solution
is to formualte the hessian of the rxns involving the
major species, and then invert it, using cg probably, to get a better
iteration direction.
2008-04-14 17:22:02 +00:00
Harry Moffat
6c7e375020
Cleaned up the global damping algorithm. made sure the total gibbs free
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energy printouts are monotonically decreasing.
2008-04-11 22:44:49 +00:00
Harry Moffat
e463b77fa2
Added an endl printing capability to writelog(). Some systems differentiate
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between endl and \n when it comes to flushing the output.
Added C++ printing utilities
2008-04-08 20:19:26 +00:00
Harry Moffat
cd3e8d8741
Replaced a naked floating point equality check with a fuzzy check.
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This was causing problems in the optimized, DEBUG_MODE code.
2008-03-31 23:51:41 +00:00
Harry Moffat
bb188d1fee
Minor changes to beat down spurious warning messages about
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uninitialized variables, that were in fact properly initialized.
2008-03-31 21:34:04 +00:00
Harry Moffat
60b66f18af
Minor mods to 10 files, due to trying to compile on multiple
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ASC platforms. Most of the mods had to do with namespace issues.
2008-03-04 23:40:08 +00:00
Harry Moffat
d63ad80500
Took out vcs_seconds routine. Now relying on clockWC.
2008-01-20 23:19:33 +00:00
Harry Moffat
fa7e832b14
doxygen update mostly.
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worked on moving #define to inline functions
2008-01-18 17:04:07 +00:00
Harry Moffat
bcdec010ed
Replaced misc. debug #ifdefs with the single #ifdef block DEBUG_MODE.
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This block is turned on/off by the configure options in the autoconf
setup process.
2008-01-14 22:24:10 +00:00
Harry Moffat
785de7f42c
Solaris 64 bit port modifications
2008-01-07 21:53:22 +00:00
Harry Moffat
15f0a7d6ba
Added pragrams to get rid of msft vc warnings.
2008-01-03 18:42:39 +00:00
Harry Moffat
d0e99aec18
Added vcs_nonideal, another equilibrium solver that can handle
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nonideal thermo multiphase systems.
2007-12-19 21:19:28 +00:00
