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Author SHA1 Message Date
Harry Moffat
0766b9469d Nominally finished the copy constructors/assignment operators 
for the Kinetics class and friends.

However, I have not done any testing on this, none.
 2010-06-25 20:56:45 +00:00
Harry Moffat
0cbec89c52 More copy constructors and assignment operators. 2010-06-25 19:59:27 +00:00
Harry Moffat
b7bc8a8eb6 Added assignment operator to GasKineticsData 2010-06-25 17:16:00 +00:00
Harry Moffat
e98ae73fc1 Allowed "," to be in names again. 
This was already being used in some cases.
 2010-06-25 16:46:36 +00:00
Harry Moffat
7d901ed74f Added in duplication routines. 
Added in a shallow pointer copy facility.
 2010-06-25 16:04:29 +00:00
Christopher Lueth
63aadd5ab0 Added getActivityConcentrations, standardConcentration, logStandarConc to MargulesVPSSTP so it can be used in reactions 2010-06-22 20:42:49 +00:00
Harry Moffat
1f2afb41e2 More work with LatticeSolidPhase. 
Still not ready for prime time.
 2010-06-22 15:52:49 +00:00
Harry Moffat
6e9d490dc1 Updates to the LatticeSolidPhase object. 
This object is not ready for primetime.
 2010-06-21 23:47:34 +00:00
Harry Moffat
fba698e890 doxygen update 
changed double to doublereal
 2010-06-18 21:11:36 +00:00
Harry Moffat
7b4aeeb429 Doxygen update 
Beat down a few warnings from doxygen
Moved some definitions from .h files to .cpp files.
There is no change in functionality in this update
 2010-06-18 20:54:59 +00:00
Harry Moffat
ebcdbf3fa1 Changed the RootFinder algorithm so that delta_x can't go to zero. 2010-06-10 19:55:25 +00:00
Harry Moffat
e911aa1309 Implementing the expanded species name idea, where we can guarantee 
a unique name, when dealing with a bunch of phases.
Working on the LatticePhase
 2010-06-06 02:57:02 +00:00
Harry Moffat
60f5f31c3b Added logic to handle constant current simulations in electrodes, 
where the function may be level over various regions of x.
 2010-06-06 02:42:59 +00:00
Christopher Lueth
42e2dd0c0b added enthalpy_mole(), entropy_mole().... capabilities to MargulesVPSSTP 2010-05-26 23:15:29 +00:00
Harry Moffat
2820296ac5 Fixed a typo in the makefile 2010-05-26 18:54:49 +00:00
Harry Moffat
9bba4579e8 Added two new functions 
productOrder
   getActivityConcentrations
 2010-05-26 18:13:34 +00:00
Harry Moffat
1644b1c3fe Added a root finder class. This class solves single equation solvers. 
It's actually, vcs_rootfd1D.cpp, however, putting it up here rather than
in the equil directory makes more sense.
 2010-05-26 02:08:04 +00:00
Harry Moffat
fae826750f Fixed a memory overwrite error in solveProb 2010-05-25 02:56:38 +00:00
Harry Moffat
9b5560f425 Incremental commit, cleaning up object 2010-05-23 15:25:02 +00:00
Harry Moffat
3167a96541 Initial commits of BEulerInt. This is a backwards euler stepper 
with lots of hooks. Using this to develop a subgrid electrode object.
 2010-05-23 15:11:55 +00:00
Harry Moffat
4856da5083 Added a solvers.h file 2010-05-23 02:46:46 +00:00
Harry Moffat
d8ae74198d Second iteration for solveProp. Added a routine to get the 
final answer out.
 2010-05-22 21:50:26 +00:00
Harry Moffat
45a427fe54 Added a first generation capability for a general nonlinear solver 
for steady state problems. This is based on the surface solver
 2010-05-22 20:32:29 +00:00
Harry Moffat
4253221ba7 Added a parseSpeciesName function 2010-05-15 00:09:34 +00:00
Harry Moffat
bda6c5aed4 Fixed an error in the destructor. Replaced delete with delete []. 2010-05-12 18:51:11 +00:00
Harry Moffat
1611b87155 Added version control information to winconfig.h 2010-05-08 18:06:27 +00:00
Harry Moffat
d2a6042f7f Added comments. 2010-05-08 02:02:10 +00:00
Harry Moffat
565e57d814 Added in routines that modify/fix the kinetics operator for heterogeneous 
reactions. Now the kinetics operator carries around information
that indicates whether a phase exists or not. If the phase exists
then the species in it can be consumed by the kinetics heterogeneous
operator. If it doesn't exist then species within the phase can
only be created by the kinetics operator.

Worked on Cantera's version control. 

In the config.h file, we now write several forms of version
control information as preprocessor defines

CANTERA_VERSION  = double quoted string id'ing the branch number
CANTERA_VERSION_MAJORNUMBER  major number of Cantera as an int

Defines that are specific to the branch and that are assigned a 1. e.g.:
#define CANTERA_VERSION_18       1
#define CANTERA_VERSION_18_XXX   1
#define CANTERA_VERSION_18_LTD   1

In the Cantera.mak file, we write


CANTERA_VERSION =  double quoted string id'ing the branch number
CANTERA_DEFINES = -DCANTERA_VERSION=@ctversion@
 2010-05-06 20:25:50 +00:00
John Hewson
e8d545fba9 Added classes to compute effects of porous flow on species transport. 
There are two primary methods in these classes: 

McMillan() that computes the ratio of the porous transport rate 
to the non-porous transport rate.

toruosityFactor() that computes the "tortuosity" component of this 
ratio (the increase in the diffusion length scale).

The base class implements a general Bruggemann formulation and subclasses
implement a percolation theory models and Maxwell's model.  

I did not put in copy constructors, etc., for these calsses yet.
 2010-05-05 22:49:34 +00:00
Harry Moffat
82e215d732 Changed the comments on one file. 2010-05-04 23:59:16 +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
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