Harry Moffat
5f91bf7293
Rebaselined the problem.
...
The number of points changed from 104 to 105 points. However, the
solution stayed just about the same.
2006-03-03 16:37:39 +00:00
Harry Moffat
b011f4546c
Added files to the ignore list.
2006-03-03 15:33:56 +00:00
Harry Moffat
6e02cbd8e3
Fixed this test so that it can work in the srcdirtree environment.
2006-03-03 15:29:44 +00:00
Harry Moffat
bd47fc101c
Rebaselined the kin1 problem after taking a close look at the
...
results. At one time plane, a couple of the radicals concentrations
changed at the ~5.0E-3 level. This seems to be a nontrivial change,
however, I this we should let it pass.
I sense this problem could be made more stable if the nonlinear
convergence requirements were made a lot stricter, while maintaining
the same time step truncation error tolerances.
2006-03-03 15:27:14 +00:00
Harry Moffat
2830dea490
updated the test to ensure that it works from the srcdirtree.
2006-03-03 15:21:25 +00:00
Harry Moffat
6bf3be84c3
Fixed the program so that it can be run from srcdirtree and install tree
2006-03-03 14:43:34 +00:00
Harry Moffat
c876f55003
Fixed a warning message about getting to the end of a
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int function without a return.
2006-02-24 23:24:50 +00:00
Harry Moffat
1cd614efc6
Fixed a warning message about no return from a double function.
2006-02-24 23:22:14 +00:00
Dave Goodwin
55e98c86f5
added size attribute to species class
2005-12-19 06:10:17 +00:00
Dave Goodwin
9a67ae84c4
added statements to getEquilibriumConstants to force a T update on the next call. Array m_rkcn was being left containing incorrect data. Problem is now fixed.
2005-12-15 17:07:06 +00:00
Dave Goodwin
33fbbf0b93
removed critical and saturation properties from ThermoPhase
2005-12-09 17:49:33 +00:00
Dave Goodwin
3c3f7d47ec
*** empty log message ***
2005-12-07 10:21:18 +00:00
Dave Goodwin
7d1cb660fe
initial import
2005-12-07 03:34:15 +00:00
Dave Goodwin
87961902de
fixed sundials test
2005-12-06 19:23:32 +00:00
Dave Goodwin
70d277c86e
minor changes
2005-12-05 18:36:27 +00:00
Dave Goodwin
e2d8ec95f5
*** empty log message ***
2005-12-05 14:05:03 +00:00
Dave Goodwin
d90c9efe6b
*** empty log message ***
2005-11-28 00:28:56 +00:00
Dave Goodwin
623dba2b67
misc minor fixes
2005-11-26 16:08:40 +00:00
Dave Goodwin
bcfc876a0a
fixed error in restoreState
2005-11-23 01:19:52 +00:00
Dave Goodwin
2a963debde
*** empty log message ***
2005-11-22 18:50:19 +00:00
Dave Goodwin
08fa7e3d02
changed some variable names to eliminate leading ddouble (and some single) underscores
2005-11-22 17:59:04 +00:00
Dave Goodwin
94bc93b6e6
added check in set_xy for density == Undef but T != Undef. Failure to check for this condition had resulted in convergence to the wrong root for Hydrogen.
2005-11-18 08:21:45 +00:00
Harry Moffat
5a9ad810eb
Added a few more files to handle liquid electrochemistry thermo.
2005-11-14 18:49:56 +00:00
Harry Moffat
bcd9750364
Added two sets of functions
...
One, InitThermoFromXML() and InitThermoFromFile() initializes
ThermoPhase objects from XML data trees.
The second set, which is incomplete, works to create a duplication
capability for ThermoPhase objects, using the function,
duplMyselfAsThermoPhase().
2005-11-14 18:47:27 +00:00
Harry Moffat
747717bf86
Addec copy constructor and assignment operator.
2005-11-14 18:41:33 +00:00
Dave Goodwin
318b639211
removed some diagnostic output
2005-11-13 11:15:26 +00:00
Dave Goodwin
4ed7e64194
*** empty log message ***
2005-11-10 20:48:27 +00:00
Dave Goodwin
6547372987
support for sensitivity analysis
2005-11-10 15:06:33 +00:00
Dave Goodwin
ed770b98c8
*** empty log message ***
2005-11-10 15:02:30 +00:00
Dave Goodwin
12712e54ae
initial import
2005-11-10 15:02:07 +00:00
Dave Goodwin
4aa20002f4
corrected bug that caused problems if this SpeciesThermo manager was used in conjunction with another one (e.g. NASA).
2005-10-31 16:29:49 +00:00
Harry Moffat
b366e7122b
Eliminated 2 unused variables.
2005-10-31 16:06:45 +00:00
Dave Goodwin
55d2cc2346
initial import
2005-10-29 04:22:11 +00:00
Harry Moffat
19a1824d08
Added a virtual destructor for SpeciesThermoInterpType.h. Without it,
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there is a memory leak.
2005-10-28 23:16:25 +00:00
Harry Moffat
e050c6fc10
Forgot the member function getCp_R_ref() in the previous commit.
...
This commit adds that function.
2005-10-24 22:13:52 +00:00
Harry Moffat
77bbce6f39
Added the new file.
2005-10-24 21:57:09 +00:00
Harry Moffat
f42594d9d9
Added an example of SingleSpeciesTP, called StoichSubstanceSSTP, which
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does the same thing as the StoichSubstance in the previous directory.
Put more functionality in the SingleSpeciesTP level; it now evaluates
the reference polynomials.
2005-10-24 21:52:23 +00:00
Harry Moffat
d0a499d70e
Moved the getStandardChemPotentials() routine to the standard state
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functions member group.
2005-10-24 21:38:14 +00:00
Harry Moffat
218f2f43b1
Added a thermo.h file to the cxx directory. This file is analogous
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to the transport.h file.
2005-10-24 18:03:12 +00:00
Harry Moffat
60eb2c2968
Moved the getActivities and getActivityCoefficients() functions
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to the activities member group.
2005-10-24 17:03:13 +00:00
Dave Goodwin
a81572e920
initial import
2005-10-24 16:41:24 +00:00
Harry Moffat
046dc24775
Added the copy constructor and assignment operator.
2005-10-24 15:39:22 +00:00
Harry Moffat
2fe5f76650
Generalization of the getStick() routine, to include the
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case where you have bulk reactants as well as surface reactants
and a single gas phase reactant.
2005-10-22 00:53:22 +00:00
Harry Moffat
df149f7f6c
Added cvs information to the file.
2005-10-22 00:35:47 +00:00
Harry Moffat
4354869230
Missed a .h file in the last commit.
2005-10-22 00:29:02 +00:00
Harry Moffat
5de3c69245
General commit for a reworking of the Species reference state thermo
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calculation. This is a reclarification of the reference state thermo
calculations for individual species, and an expansion to handle
liquid phase thermo needs.
There is now a virtual base class for the calculation of reference state
thermo functions for individual species. It is called
SpeciesThermoInterpType.
There is also a class which allows for a complete general
calculation of the reference state species thermo for a phase,
GeneralSpeciesThermo.
Some of this new functionality may be relegated to ifdef blocks
in the future to limit the amount of code for users who don't
need the new functionality.
2005-10-22 00:18:16 +00:00
Harry Moffat
ece819061c
Added cvs info for this file.
2005-10-21 22:44:18 +00:00
Harry Moffat
91ac1a238e
Fixed an error in the doxygen comments that caused my version
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of doxygen to segfault. This was caused by member groups not
having a closing bracket.
2005-10-21 22:41:15 +00:00
Harry Moffat
c431590dad
Filled out 2 missing functions to this ThermoPhase object:
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getIntEnergy_RT() and getIntEnergy_RT_ref().
2005-10-21 22:25:53 +00:00
Harry Moffat
18ffa552d1
Added a detailed doxygen member function description.
2005-10-21 22:16:37 +00:00
