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Author SHA1 Message Date
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
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
Harry Moffat
59c867ebae Fixed some malloc errors that left some memory unfreed. 2010-01-31 00:26:54 +00:00
Harry Moffat
47ef65b849 Fixed a memory leak error, due to faulty logic in 
the destructor.
 2010-01-30 22:46:07 +00:00
Harry Moffat
e3789e48e3 Fixed an obvious error with the stefan maxwell formulation for 
liquid transport.
 2010-01-28 03:28:45 +00:00
Harry Moffat
be731888a4 Fixed a UMR error, due to a missing initialization list. 2010-01-19 18:27:34 +00:00
Harry Moffat
7abb1dc33a Merged with the trunk. 2010-01-17 19:08:00 +00:00
Harry Moffat
66ea343cea Doxygen update 
- no code changed
  - All the easy warning messages are eliminated now from the trunk.
 2010-01-17 18:17:55 +00:00
Harry Moffat
36e4040750 Doxygen update 
- beat down the warning messages from this directory.
   - no code changed other than reformatting.
 2010-01-17 17:55:28 +00:00
Harry Moffat
180fbef55d Doxygen update 
- no code has been changed other than a change of symbols.
 2010-01-17 17:05:46 +00:00
Harry Moffat
8af585eeab Doxygen update - no code changed. 
Working on beating down the warnings
 2010-01-16 18:57:05 +00:00
Harry Moffat
8c9a3bdf4b Fixed errors in the formulation of the base class. This 
left unsatisfied externals in applications.
 2010-01-16 18:09:44 +00:00
Harry Moffat
7e39fb0ad0 Eliminated an error 2010-01-16 17:55:02 +00:00
Harry Moffat
0bcb614d21 Merged from the trunk to this branch. 
I don't think the trunk had any real changes in it.
 2010-01-15 21:20:41 +00:00
Harry Moffat
86b5fe7dca merging. 2010-01-15 20:40:39 +00:00
Harry Moffat
a9e35724c2 Upgraded doxygen configuration file. 2010-01-15 20:26:59 +00:00
Harry Moffat
3587de40b7 Doxygen update on SingleSpeciesTP 
double to doublereal conversions

made sure const parameters match on setTemperature()
 2010-01-15 20:22:09 +00:00
Harry Moffat
8ea0c8197e Made sure all double values were doublereal 2010-01-13 22:12:27 +00:00
Harry Moffat
bedb314545 Eliminated a doxygen error. 2010-01-12 21:34:40 +00:00
Harry Moffat
ab38d29228 Fixed a doxygen compatibility problem. 2010-01-12 21:27:32 +00:00
Harry Moffat
3d392242d9 Added documentation for an external int 2010-01-12 21:23:08 +00:00
Harry Moffat
41e207d762 Added comments. 2010-01-12 17:16:57 +00:00
John Hewson
4b676b388c Changed the signature of LiquidTranInteraction::getMatrixTransProp( 
DenseMatrix &mat, doublereal* speciesValues = 0 ) so that now it takes
a reference to the matrix that needs to be filled, avoiding an extra
copy construction.

For vector and DenseMatrix resize operations, added 0.0 or 0 as
initialization value so that we don't have garbage in these.  This is
most relevant for vectors of pointers where we need NULL values to
test against.
 2010-01-12 00:42:50 +00:00
Harry Moffat
b41d72bf4c Merged changes from the trunk. 
Note, there isn't any changes in the core code done here.
 2010-01-04 01:42:45 +00:00
Harry Moffat
ade2f69c1f committed configure 2010-01-04 00:58:30 +00:00
Harry Moffat
e381001c95 Merged changes from the 1.8.0 branch ontl the main trunk. 2010-01-04 00:46:26 +00:00