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27 commits

Author SHA1 Message Date
Harry Moffat
35d96f6d03 Changed the PITZER_TEMP_COMPLEX1 parameterization to use 5 coefficients 
for beta1 and 5 coefficients for beta2. They are now the same as
beta0 and Cphi.
All xml blocks using this parameterization must be modified accordingly.
 2007-10-02 00:49:55 +00:00
Harry Moffat
67d7e3f290 Cropping Update 
-Did a better job at coming up with cropping strategy for molalalities
   which are used for the calculation of the activity coefficents.
   Without such a strategy, act coeffs may become unbounded and
   cause the equilibrium solver to fail.
 2007-07-18 19:27:51 +00:00
Harry Moffat
1b4538dd25 Fixed compilation problems on solaris 2007-07-13 15:55:45 +00:00
Harry Moffat
d7fb2d6ffa Doxygen update. 
completed HMWSoln header information.
 2007-06-26 22:28:53 +00:00
Harry Moffat
edd8584dda Doxygen update 
-> fixing documentation for functions.
 2007-06-26 17:43:12 +00:00
Harry Moffat
faa637d25a Doxygen update - 
Update of Header files
 2007-06-17 20:56:46 +00:00
Harry Moffat
fa0cc67986 Doxygen Update 
Worked on the class header information.
 2007-06-14 23:40:49 +00:00
Harry Moffat
56155a1d27 Doxygen update 
-> Eliminated all of the doxygen warnings. However, there is a long
     way to go in documenting the HMWSoln header file.
 2007-06-14 15:05:49 +00:00
Harry Moffat
29c71152f9 Doxygen update 
-> added more member data documentation to HMWSoln
Added DebyeHuckel and IdealMolalSoln to the ThermoFactory
 2007-06-13 18:53:37 +00:00
Harry Moffat
63dd45cc6a Doxygen update 
- documented some member data
Changed names to make it more readable.
 2007-06-13 14:36:52 +00:00
Harry Moffat
cb1dc5917c Made several routines const that should be const 
getUnitStandardConc
 and in Phase::nDim and getMolecularWeight()
 2007-06-13 00:08:35 +00:00
Harry Moffat
235ff2acb5 Turned the virtual function,getParameters(), to getParameters() const 2007-06-12 19:14:06 +00:00
Harry Moffat
440c74236c Made constructPhaseFile() and constructPhaseXML() non-virtual. 
They are called from the constructor, and it generally is a
tricky situation when virtual functions are called from constructors.
 2007-06-12 17:33:19 +00:00
Harry Moffat
16c8a59ca5 Bugfix checkin to get the duplMyselfAsThermoPhase() routines working. 
Bugs include quite a few errors in the copy constructors and
assignment operator functions, which, for most of them, have been
checked against a sample problem, HMW_dupl_test, for the very first time.

Note, the duplMyselfAsThermoPhase() routines are now working.
 2007-06-01 23:44:24 +00:00
Harry Moffat
9773c9b23b Changed the duplMyselfAsThermoPhase function to be a const function 
(trying to keep a unified view of what are const and non-const
functions within the ThermoPhase classes)
 2007-06-01 15:31:02 +00:00
Harry Moffat
aa7bf0421b Fixed a bug in the calculation of reference state values, for 
thermophase objects that derive from VPStandardStateTP
 2007-05-11 17:34:44 +00:00
Dave Goodwin
a04e7309a2 moved files to thermo subdirectory 2007-05-04 14:02:39 +00:00
Harry Moffat
810520f4ac Solaris 10 update 
Various std:: additions to stl functions and additions of c include files.
 2007-03-20 21:51:12 +00:00
Harry Moffat
af38f45d1d Worked on VPStandardStateTP some more 
Fixed an error in IdealMolalSoln -> density wasn't beeing recalculated.
      Updated the test problem with the fix.
Worked CANTERA_DEBUG_MODE into the Makefiles. It wasn't being used.
Split the multiproblem DH_graph_1 test into multiple directories, one per test
Worked on getting all of the test problems to have the same look, feel, and printout.
 2007-03-09 21:04:42 +00:00
Harry Moffat
ca4f9cc31d Work on VPStandardStateTP. Started to formalize what it actually 
does, putting in doxygen documentation. Tried to fix some holes
in DebyeHuckel wherein calculations may be returned without
updating the underlying water standard state.
 2007-03-08 18:23:52 +00:00
Harry Moffat
1cd197ea7a doxygen update: 
Added EdgePhase
Worked on test suite:
   HMW_Test_1 passes now whether Debug_Mode is turned on or not.
 2007-02-24 00:51:56 +00:00
Harry Moffat
72a6de13a4 Uupdaetd the structure of the namespaces so that it would compile. 2006-11-28 18:44:23 +00:00
Harry Moffat
19cd590ac2 Another iteration on trying to unify the water treatment between 
the 2 objects.
 2006-07-13 20:05:11 +00:00
Harry Moffat
07d5b6a6aa Unifying the water treatment between objects. 
Found a bug in getPartialMolarEntropy in HMWSoln that wasn't covered
in the test suite.
 2006-07-12 15:41:38 +00:00
Harry Moffat
60ff5fb20e Iteration on unifying water treatments in the 2 objects. 2006-07-12 00:46:34 +00:00
Harry Moffat
d5affaa953 Took out an unneeded parameter B_Debye in Pitzer model. 
Switched to DEBUG_MODE for optional printing.
 2006-07-07 18:05:36 +00:00
Harry Moffat
6aa9287438 Added Pitzer Object 2006-07-06 15:39:34 +00:00