research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions
2822 commits 2 branches 16 tags 37 MiB
Commit graph

2822 commits

This branch
This branch
All branches
Author SHA1 Message Date
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
Harry Moffat
a0cdf79771 Reduced the accuracy on the comparisons 2010-01-03 23:56:43 +00:00
Harry Moffat
fd287e1d89 reduced the precision on the comparisons 2010-01-03 23:54:24 +00:00
Harry Moffat
23c50efe35 rebaselined the solution 2010-01-03 23:44:55 +00:00
Harry Moffat
4658281213 Fixed a few errors. There was a name error. 2010-01-03 23:13:17 +00:00
Harry Moffat
2cb7eb7580 Added two new files that will be used in the windows debug compile. 2009-12-30 23:08:17 +00:00
Harry Moffat
c24a59deff Added a few files for the windows debug compile, which now uses _d libraries. 2009-12-30 23:07:15 +00:00
Harry Moffat
4297e1ce11 Doxygen commit. 
Added stuff to the tranprops group.
 2009-12-30 18:40:44 +00:00
Harry Moffat
ea7ae8c583 Added a stub for a high level description of transport within Cantera. 2009-12-30 18:20:34 +00:00
Harry Moffat
fabfb44b4e Switched a call in MultiPhase to be public. 
switched velocityBasis to a typedef. It seemed the better solution. Note the concept is still basically undeveloped.
Doxygen changes - supporting 1.6.2
 2009-12-30 17:58:38 +00:00
Harry Moffat
35f32314b9 Modifications to beat down the compiler warnings. Merged from the 
liquidTransportDevelop
 2009-12-29 03:01:18 +00:00
Harry Moffat
5eb5371cbc Added files. 2009-12-29 02:48:22 +00:00
Harry Moffat
c03e7c2ab5 Merged the changes made in the 1.8.0 branch into the main trunk. 2009-12-29 02:47:28 +00:00
Harry Moffat
3b8018e5fb Merged the changes in the 1.8.0_Revision into this branch. 2009-12-29 02:45:58 +00:00