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Author SHA1 Message Date
Harry Moffat
82e215d732 Changed the comments on one file. 2010-05-04 23:59:16 +00:00
Harry Moffat
350988be37 Changed the format of the xml file so that you only need 
2 of the 3 fields:
 DG0, DH0, and S0.

The third field is calculated consistently wrt the first two fields.
 2010-04-21 18:05:44 +00:00
Harry Moffat
75d434fc31 Changed the HKFT formulation. You now can specify 2 of the 3 parameters 
DG0, DH0, or S0. It will then internally calculate the third parameter
that is consistent with the other two.
 2010-04-21 17:57:22 +00:00
Harry Moffat
ec3e7278a0 Eliminated an overloaded function, getFloat() for vectors, 
that was a bit confusing. getFloatArray() can now handle the
functionality of getFloat(). 
Took getFloat() out of the code base.
 2010-04-21 03:36:07 +00:00
Harry Moffat
d466a63d51 Transfered some functions to the cpp file. 2010-04-15 19:55:23 +00:00
Harry Moffat
497e69d0d0 Worked on doxygen updates 
Split a file in two in order to make the directory more readable.
Started working on standardizing the files.
 2010-04-10 02:35:18 +00:00
Harry Moffat
49ba48e602 Fixed variable array declarations. 2010-04-10 01:35:13 +00:00
Christopher Lueth
20bf13dbd7 implemented reportCSV in MolalityPSSTP and PureFluidPhase 2010-04-06 16:37:11 +00:00
Harry Moffat
8f8b83e0a2 Changed the runtest so that a value of 0 returned from csvdiff 
indicates a successful test. Previously, it had been a 1. 
These tests in this branch weren't changed in my commit of last week.
 2010-04-05 16:35:49 +00:00
Christopher Lueth
1f6fe73076 Changed output format of reportCSV...still need to implement it properly in MolalityVPSSTP and PureFluidPhase 2010-04-02 23:11:47 +00:00
Harry Moffat
df275cdddf Added another example of a linux build 2010-04-02 20:20:12 +00:00
Harry Moffat
1e77c40db0 Small changes 2010-04-02 19:44:08 +00:00
Harry Moffat
4811459364 Changed the csvdiff default return value. 
Now a return of 0 indicates a success.
  Previously a return of 1 indicated a success. Please note!
 2010-04-02 19:29:07 +00:00
Harry Moffat
35d5677ab6 Changed the csvdiff default to return 0 on a successful test not 1. 
Then I changed all the test problems to follow the new default.
 2010-04-02 17:44:55 +00:00
Harry Moffat
356797655f Added a templated function that carries out deep copies 
of std vectors of pointers.
 2010-04-02 17:43:36 +00:00
Harry Moffat
d906ca5951 Fixed a compilation error 
Added doxygen info
 2010-04-02 17:40:52 +00:00
Christopher Lueth
58719349cb added reportCSV method to ThermoPhase class and all other derived classes that currently contain the report method. reportCSV will output phase data to a text file and a comma separated file that are passed in. 2010-04-01 23:05:39 +00:00
Christopher Lueth
a6042af1e7 Fixed error in IonsFromNeutral to allow for any order of the salts and ions 
updated doxygen to explain relationship between LiquidTransport, LiquidTransportData, and LiquidTransportParams
 2010-03-30 18:30:39 +00:00
Christopher Lueth
5cfd0514d3 Removed repetative functions from transport: now use only customary pass by pointers (not by references to Densematrix or vector_fp) 2010-03-26 16:45:27 +00:00
Harry Moffat
b77a8d7407 Added text 2010-03-26 16:23:37 +00:00
Harry Moffat
900f5d1530 Doxygen updates, and code formatting. No actual changes. 2010-03-25 17:23:36 +00:00
Harry Moffat
0bbd0879d5 Added doxygen comments. 2010-03-23 15:28:06 +00:00
Harry Moffat
2a62073948 Added doxygen comments. 2010-03-23 15:27:42 +00:00
Harry Moffat
ae2bd115d0 Worked on the interface, and took out some chaff 2010-03-20 03:09:22 +00:00
Harry Moffat
357c7ff4d9 Resurrected the SimpleTransport object. 
The test problem was failing and had been ignored.
 2010-03-19 23:07:45 +00:00
Harry Moffat
a20321e5c9 Worked on documenting using doxygen. 2010-03-19 16:44:17 +00:00
Harry Moffat
cb163c521f Deleted an unused property 2010-03-19 15:33:32 +00:00
Harry Moffat
fc30b6d4c1 fixed keywords property 2010-03-19 15:32:04 +00:00
Harry Moffat
409d407581 Changing prop name from keyword to keywords 2010-03-19 15:29:38 +00:00
Harry Moffat
bdf3bda124 Working on understanding keyword substitution. 2010-03-19 15:27:16 +00:00
Harry Moffat
43f7dd2e45 Changed the keywords specifier 2010-03-19 15:24:25 +00:00
Christopher Lueth
7080a151a6 Fixed how IonsFromNeutralVPSSTP.cpp calculates the density...now calculates the neutralmolecule_ density and sets its own. 
Fixed some issues in liquid transport w/ zeroing m_prop properly
 2010-03-10 16:37:40 +00:00
Christopher Lueth
01f915d01a Changed storage of stefan maxwell coefficients from Dij to 1/Dij...to allow for negative and zero values of the friction between species. 
Corrected some memory issues (LTP.cpp was creating null pointers for ionConductivity that were being used in LT.cpp)
 2010-03-04 18:02:58 +00:00
Harry Moffat
1bcec0aac7 Fixed the exchange current density rate coefficient option. 
There was an obvious error that caused cathodic reactions to fail.
 2010-03-02 21:39:42 +00:00
Christopher Lueth
4220cb318b commented ifdef block in neutralmolecmolegrads 2010-03-02 16:27:50 +00:00
Harry Moffat
c1879a15e5 Fixed a warning message in LiquidTransport constructor 
Added a deprecated message for array_fp.
 2010-03-02 00:59:45 +00:00
Christopher Lueth
5f327277b0 Corrected memory allocation for ionConductivity, mobRatio, selfDiffusion, etc. that may not be required as input. 2010-03-01 23:35:35 +00:00
Harry Moffat
263aeb6b35 Added a new way to specify the kinetics reaction rate coefficient 
when dealing with electron transfer surface reactions.
This way specifies an exchange current density reaction rate coefficient
in units of amps / m2.  This is slightly more informative for 
electrode reactions. 

The new also preserves the correct treatment of activity coefficients
for these reactions. 

A memo describing this new capability is in the works.
 2010-03-01 18:14:07 +00:00
Christopher Lueth
60afcc5d57 Implemented stefan maxwell equations with input of conductivity, cation mobility ratio, and self diffusion coefficients. 2010-03-01 16:16:15 +00:00
Christopher Lueth
0d31b2f7a7 Added a few unit definitions to units.h 
Overloaded getFloat to allow call to getFloatArray and return a vector
 2010-02-27 00:49:36 +00:00
Christopher Lueth
d9b4031614 Added excess volume capability for GibbsExcessVPSSTP and children 
Corrected activity coefficients calculation for >2 species
 2010-02-27 00:47:47 +00:00
Christopher Lueth
08615de293 test commit 2010-02-12 22:28:49 +00:00
Christopher Lueth
08dca36204 hi 2010-02-12 22:23:44 +00:00
Harry Moffat
039696dcc6 More changes for solaris compile 2010-02-09 20:39:03 +00:00
Harry Moffat
a5ea91b56a Changes due to compilation problems on solaris 2010-02-09 20:24:11 +00:00
Harry Moffat
e2fb5d3483 Fixed compilation errors on solaris. 2010-02-09 19:57:02 +00:00
Harry Moffat
4b349de72b Added more ignore files. 2010-02-09 19:49:20 +00:00
Harry Moffat
9023c30cd8 took out an unused command from the clean rule. 2010-02-09 19:44:37 +00:00
Harry Moffat
0756ede089 Added in code to automatically add -lm and -lstdc++ to the link line 
when they are present on the system.
 2010-02-09 01:34:54 +00:00
Harry Moffat
f9d90adbcf Added an example of a successful setup on RHEL5 using python 2.6.4 and 
matlab 7.9
 2010-02-08 15:18:52 +00:00