Harry Moffat
884d2fc084
Changed major-minor flags after a species is born.
2008-05-19 23:10:04 +00:00
Harry Moffat
275b3ce986
rebaselined due to changes. -> solution didn't change
2008-05-19 21:26:03 +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
ca3bc7c5be
Added a isIdealSoln() capability to volphase object and then used it
...
to reduce the amount of calculations.
2008-05-16 16:31:12 +00:00
Harry Moffat
7b4b970253
Name changes only
2008-05-16 15:25:08 +00:00
Harry Moffat
8a98660831
Fixed an error in the non DEBUG_MODE block.
2008-05-14 20:23:21 +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
dc69f9cb9f
Added a file
2008-05-07 19:27:39 +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
90f7898970
Updated the dependencies in the Makefiles.
2008-05-07 17:01:03 +00:00
Harry Moffat
2f259c6f6a
Worked on making the Makefiles more uniform
2008-05-06 23:32:07 +00:00
Harry Moffat
3aa28fe8d7
Fixed an interface error with invoking ChemEquil.
2008-05-06 23:31:13 +00:00
Harry Moffat
dd4151b6b0
Compile errors found on the sun
2008-05-06 17:12:23 +00:00
Harry Moffat
878fbb86bb
Rebaselined to new interface
2008-05-06 16:54:00 +00:00
Harry Moffat
9da8402543
Changed the interface to allow values of 0, 1, and -1 for
...
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
72d3f7b7f7
Rebaselined for new units treatment
2008-04-28 16:07:39 +00:00
Harry Moffat
e1e8cba0b6
Rebaselined the problem due to printout error
2008-04-25 02:40:01 +00:00
Harry Moffat
6667d79319
Changed variable names.
...
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
f6ecf72ea3
Rebaselined due to change in algorithm.
2008-04-17 16:22:50 +00:00
Harry Moffat
aa50717d7b
Fixed an issue with the interface for specifying whether the
...
solution is estimated or not.
2008-04-16 22:07:36 +00:00
Harry Moffat
df8e9e0db5
Added a vcs_MultiPhaseEquil.h include file.
2008-04-16 21:01:43 +00:00
Harry Moffat
6523642dd4
Turned off a print statement.
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Added ct_defs.h and thus config.h to the .h files.
2008-04-16 20:57:50 +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
58ddc135eb
Switched the implementation of intValue() and fpValue() to the .cpp file
...
from the .h file. This also fixes a compile problem a user had involving
a header file (that wasn't in the .h file but was in the .cpp file).
2008-04-15 15:28:53 +00:00
Harry Moffat
aee97e5f8b
Changed the text output from the equilibrium solver.
2008-04-14 17:27:37 +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
