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Author SHA1 Message Date
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
ef7728b1d3 Merged thermo directory with the LiquidTransportDevelop 
thermo directory. 
  The biggest change is the addition of the derivative routines
of the activity wrt mole fraction and mole number.
Also There is an addition of reportCSV() routine, which is 
a method to create a comma separated file from ThermoPhase routines.
The rest are small issues.
 2010-05-09 03:18:33 +00:00
Harry Moffat
1611b87155 Added version control information to winconfig.h 2010-05-08 18:06:27 +00:00
Harry Moffat
6089ab2d68 Added version control information to this file. 2010-05-08 18:03:30 +00:00
Harry Moffat
701952e509 Added CANTERA_VERSION information to preconfig 
and to the Cantera.mak files which are used in the 
application environment.
 2010-05-08 03:33:37 +00:00
Harry Moffat
eaa2875d10 Two major capabilities have been merged into the main branch 
from liquidTransportDevelop branch

The Exchange_current_reaction_ratecoeff_type method for
formulating reaction rate constants for exchange current
reactions has been ported into the main branch.

Fixed the InterfaceKinetics object so that we can
specify that a phase doesn't exist. If a phase doesn't exist,
species in that phase can't be reactants in the phase. Before,
this fix, they could be !?!!
This was because InterfaceKinetics objects use ThermoPhase
objects, which are intrinsic only. We need an extrinsic notion 
that is in addition to ThermoPhase info in order to get this right.
 2010-05-08 03:15:22 +00:00
Harry Moffat
c292e98c8a Added various defines for Cantera's version control. 2010-05-08 03:04:39 +00:00
Harry Moffat
d2a6042f7f Added comments. 2010-05-08 02:02:10 +00:00
Harry Moffat
94d0d85925 Added more units strings. 
Took out frequency conversion, until we reevalulate it
 2010-05-07 14:48:15 +00:00
Harry Moffat
7b046ad00f Added comments. 2010-05-07 14:47:03 +00:00
Harry Moffat
3d64fae63c Added a deepStdVectorPointerCopy templated routine. 
Allows for deep copies of
 2010-05-07 14:45:32 +00:00
Harry Moffat
33a21f76ac Added more constructor inits. 2010-05-07 14:44:46 +00:00
Harry Moffat
74b1c3c0a1 Added more constructor inits 2010-05-07 14:44:05 +00:00
Harry Moffat
db3de591af Added comments. 
Added deprecated symbol for array_fp
 2010-05-07 14:41:34 +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
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