Harry Moffat
7df61e97a7
Changed the defn of two functions who were missing const declarations.
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These were const in Thermophase.h, and for proper inheritance, they
need to be the same in derived classes.
2006-03-03 21:11:52 +00:00
Harry Moffat
78327505c8
Took out duplicate flags
2006-03-03 20:39:27 +00:00
Harry Moffat
d28432f313
Added the file dgbfa.f
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Took out duplicate FFLAGS statement.
2006-03-03 20:31:49 +00:00
Harry Moffat
07c11a7bab
Added the SunWS_cache directory.
2006-03-03 18:17:32 +00:00
Harry Moffat
a01ddcedcc
This is the start of trying to handle 32 bit vs. 64 bit compilation
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on select platforms. For example, on linux you can compile 32 bit
and 64 bit if the os and hardware can handle 64 bits. In many cases
you want to stick to 32 bit compilations. One reason is that
python may only be set up for 32 bit add-on modules.
e.g see the SIZEOF_VOID_P defn in pyconfig.h
So, I added BITCOMPILE BITHARDWARE, and BITCHANGE variables
I also added the variable ldemulationarg, because it's needed in
one case for 32 bit compilations on 64 bit linux boxes.
Later I will add the default compiler flags that make this 32 bit
compilation work. Now they are brought in through a prep script.
2006-03-03 18:03:22 +00:00
Harry Moffat
d2bdb5c9a6
Replaced the file dgbefa.f with dgbfa.f. The later is used in other
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math routines.
2006-03-03 16:44:41 +00:00
Harry Moffat
97185bbf0e
EXTRA_LINK can now come in with a default value. Am using this for
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the 32 bit compile on a 64 bit linux operating system.
2006-03-03 16:42:09 +00:00
Harry Moffat
5f91bf7293
Rebaselined the problem.
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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
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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
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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.
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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
