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
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
Harry Moffat
b4dcb8a231
Added more documentation to doxygen.
2005-10-21 22:15:35 +00:00
Harry Moffat
c98c60138a
Added 3 missing member functions. Note, this class is still not
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complete; it's missing the ref functions.
2005-10-21 21:57:24 +00:00
Harry Moffat
18bbff355a
Changed some comments so that they reflect the correct units.
2005-10-21 21:42:20 +00:00
Harry Moffat
3f3fd4c44d
Added entries to the errorhandling group in the doxygen documentation.
2005-10-21 21:39:15 +00:00
Harry Moffat
6824722e34
Eliminated a doxygen warning message.
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Also, took out the log file entry.
2005-10-21 21:38:18 +00:00
Harry Moffat
4865aec55d
Just changed the comments. Added an errorhandling group to group
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together functions and classes dealing with error handling in
the doxygen output.
2005-10-21 21:35:35 +00:00
Harry Moffat
ad0459c412
Added the unit 'gmol' to the list of recognized units.
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Added more accuracy to the eV unit.
2005-10-21 21:28:58 +00:00
Harry Moffat
82fa55b04a
Added a copy constructor and an assignment operator.
2005-10-21 18:23:08 +00:00
Harry Moffat
593c6b4aeb
Added a routine to the ThermoPhase specification: activityConvention().
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This has a default value of molar-based. The other option is molality
based.
2005-10-21 16:18:39 +00:00
Harry Moffat
f0588ae816
Added the file config.h to this list.
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It's a generated file.
2005-10-21 15:51:06 +00:00
Dave Goodwin
219649e5ac
*** empty log message ***
2005-10-21 01:03:40 +00:00
Dave Goodwin
5f6f2481f3
initial import
2005-10-21 00:57:11 +00:00
Harry Moffat
b955c1f025
Added a compilation define when electrolytes are included.
2005-10-20 23:33:37 +00:00
Harry Moffat
b7ee709be7
Added support for compiling the src/thermo directory.
2005-10-20 23:31:16 +00:00
Harry Moffat
65e3066fac
Added the WITH_ELECTROLYTE keyword into the script. However, I
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have made the default so that the thermo directory is not
compiled.
2005-10-20 23:30:28 +00:00
Harry Moffat
5aa7faf300
Added logic for including the thermo directory into the main
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compilation step.
2005-10-20 23:29:00 +00:00
Harry Moffat
0f446fa2b8
Added the SingleSpeciesTP file as a trial commit. Want to get the
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bugs out of adding these files to the main distribution first.
2005-10-20 23:27:42 +00:00
Harry Moffat
8b81c0400e
Commented the _require() routine.
2005-10-04 16:53:35 +00:00
Dave Goodwin
3f3ca7d62c
*** empty log message ***
2005-09-30 18:02:59 +00:00
Dave Goodwin
a2a33f1cac
*** empty log message ***
2005-09-30 16:38:09 +00:00
Harry Moffat
c32ef71f0e
Fixed a compilation error on Linux.
2005-09-29 21:05:42 +00:00
Dave Goodwin
14efd3f77c
minor cleanup
2005-09-27 12:12:05 +00:00
Dave Goodwin
518a4965dd
removed reference to recipes.h
2005-09-27 12:08:49 +00:00
