research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions
1558 commits 2 branches 16 tags 37 MiB
Commit graph

782 commits

Author SHA1 Message Date
Harry Moffat
f70c394fa6 This checkin adds the ability to read NASA9 polynomial standard states, 
with arbitrary number of temperature intervals,
to Cantera's underlying routines.

Cantera can now read fortran formatted
NASA9 polynomials to create cti files

The cti files can then be translated into xml files.

And, the xml files can now be read into constant pressure standard state
objects and used normally within the guts of Cantera.

Currently, the standard state just links into the GeneralSpeciesThermo
object, which means that it's calculation speed is slow. However, atm
this satisfies the initial use case for this new capability.

In the near future, I'll push this out to the matlab and python interfaces.
 2007-09-13 15:05:39 +00:00
Harry Moffat
bb52a2bc61 Fixed a spelling mistake. 2007-09-11 21:00:39 +00:00
Harry Moffat
ac36eab391 Solaris Bug fix: 
solaris complained about the overload between ioflag as a parameter
and as member data. So, I changed the member data name to m_ioflag.
 2007-08-29 19:57:48 +00:00
Harry Moffat
0ff546f855 Added tmp files to this list 2007-08-27 16:35:58 +00:00
Harry Moffat
60a93559af Added a capability to solve the surface pseudosteady state problem 
via a damped newton's method. It also employs a false transient
algorithm when far from the solution.
 2007-08-23 21:43:07 +00:00
Harry Moffat
12e9694043 Fixed the order of initializations so that it wouldn't produce 
a warning message.
Doxygen additions.
 2007-07-31 21:14:05 +00:00
Harry Moffat
a8d5e5a6a8 Added a m_nDim field to the base class. It seemed like the right 
place to put it. Though, it's not used atm.
 2007-07-31 21:12:36 +00:00
Harry Moffat
12a74f8acd Doxygen update - changes to comments 
made pressure_ig() a const function
 2007-07-31 21:11:08 +00:00
Harry Moffat
6b0516e54d Fixed an interface error in getSpeciesViscosities(). 
This seldom used interface function needed to ensure that update_T() is
called so that the temperature is current.
 2007-07-31 17:28:46 +00:00
Harry Moffat
1b0c396105 Added a str:: to a string parameter 2007-07-27 20:05:19 +00:00
Dave Goodwin
77a3fdbd56 *** empty log message *** 2007-07-27 03:38:23 +00:00
Dave Goodwin
a5ade5036f made some log message writing optional 2007-07-27 03:37:48 +00:00
Harry Moffat
77091ab106 Doxygen update - no code change 2007-07-27 00:32:23 +00:00
Harry Moffat
4b702bae5b Doxygen update: no code changes 
Added a cLiquidTransport for an electrolyte transport capability
  under construction
 2007-07-27 00:25:56 +00:00
Harry Moffat
be6c44da59 Doxygen update 
Documented the getSpeciesFluxes interface
  Changed a doublereal * grad_T parameter to const doublereal * grad_T
parameter.
 2007-07-27 00:09:11 +00:00
Harry Moffat
449e133e02 Took out using namespace std from a couple of .h files. 2007-07-26 21:55:32 +00:00
Harry Moffat
81af5d3a3a Fixed an error in the function setMoleFractions_NoNorm(). 
The error was introduced in v. 1.2 of this file on 5/4/07,
and lead to bad values for output mass fractions.
 2007-07-18 21:27:52 +00:00
Harry Moffat
67d7e3f290 Cropping Update 
-Did a better job at coming up with cropping strategy for molalalities
   which are used for the calculation of the activity coefficents.
   Without such a strategy, act coeffs may become unbounded and
   cause the equilibrium solver to fail.
 2007-07-18 19:27:51 +00:00
Harry Moffat
1b4538dd25 Fixed compilation problems on solaris 2007-07-13 15:55:45 +00:00
Harry Moffat
a761c52e9a Eliminated a commented out line. 2007-07-12 19:37:37 +00:00
Harry Moffat
9e894b0f69 doxygen update 
added brackets to a module.
 2007-07-12 19:36:13 +00:00
Harry Moffat
2f017f847b Added a rm *.d to the clean rule. 2007-07-12 19:34:41 +00:00
Harry Moffat
28a2e63c05 Compilation error in an optional #ifdef block. 2007-07-12 14:22:41 +00:00
Dave Goodwin
0bff9dcef0 added flags 2007-07-03 11:42:22 +00:00
Dave Goodwin
aad8e77789 added missing methods to MetalPhase, made 2 methods of SurfPhase virtual 2007-07-03 11:38:13 +00:00
Harry Moffat
d7fb2d6ffa Doxygen update. 
completed HMWSoln header information.
 2007-06-26 22:28:53 +00:00
Harry Moffat
edd8584dda Doxygen update 
-> fixing documentation for functions.
 2007-06-26 17:43:12 +00:00
Harry Moffat
7e693cdf81 Doxygen Update 
Worked on the header.
Change of LambdaNeutral XML input section
  changed the attributes to species1 and species2 to be more in tune
  with the conventions in the rest of the input file. I don't think
  this section is used anywhere yet
 2007-06-26 17:03:18 +00:00
Harry Moffat
7f971b52d3 Doxygen update 
-worked on the header
 2007-06-21 14:58:03 +00:00
Harry Moffat
824dc7f6de Doxygen update 
- worked on the header.
 2007-06-20 21:42:24 +00:00
Harry Moffat
d672421cf3 Doxygen Update 
-> Worked on the header, trying to document the format of the
     XML input file.
 2007-06-19 14:54:51 +00:00
Harry Moffat
c12e390f02 Doxygen Update 
-> Worked on the header
 2007-06-18 16:12:41 +00:00
Harry Moffat
faa637d25a Doxygen update - 
Update of Header files
 2007-06-17 20:56:46 +00:00
Harry Moffat
a76f99bbbc Fixed a divide by zero in the function checkRxnElementBalance() 2007-06-15 23:08:57 +00:00
Harry Moffat
d80ff022a4 Doxygen Update 
-> added more formulas to the header
 2007-06-15 16:38:51 +00:00
Harry Moffat
fa0cc67986 Doxygen Update 
Worked on the class header information.
 2007-06-14 23:40:49 +00:00
Harry Moffat
56155a1d27 Doxygen update 
-> Eliminated all of the doxygen warnings. However, there is a long
     way to go in documenting the HMWSoln header file.
 2007-06-14 15:05:49 +00:00
Harry Moffat
29c71152f9 Doxygen update 
-> added more member data documentation to HMWSoln
Added DebyeHuckel and IdealMolalSoln to the ThermoFactory
 2007-06-13 18:53:37 +00:00
Harry Moffat
63dd45cc6a Doxygen update 
- documented some member data
Changed names to make it more readable.
 2007-06-13 14:36:52 +00:00
Harry Moffat
f56c1b7c81 Made minTemp() and maxTemp() const functions, to make the 
paradigm consistent.
 2007-06-13 00:17:13 +00:00
Harry Moffat
cb1dc5917c Made several routines const that should be const 
getUnitStandardConc
 and in Phase::nDim and getMolecularWeight()
 2007-06-13 00:08:35 +00:00
Harry Moffat
badc82daf3 Doxygen update 
Added function documentation.
Added error checking on input
 2007-06-12 19:39:50 +00:00
Harry Moffat
235ff2acb5 Turned the virtual function,getParameters(), to getParameters() const 2007-06-12 19:14:06 +00:00
Harry Moffat
8079087eb4 Roughed in a new function, solvePseudoSteadyStateProblem() 2007-06-12 17:35:05 +00:00
Harry Moffat
440c74236c Made constructPhaseFile() and constructPhaseXML() non-virtual. 
They are called from the constructor, and it generally is a
tricky situation when virtual functions are called from constructors.
 2007-06-12 17:33:19 +00:00
Harry Moffat
457a03317a Doxygen update 
-> started adding doxygen docs for HMWSoln.
 2007-06-12 15:52:29 +00:00
Harry Moffat
28e95ba15c doxygen updated - no changes to source code 
Added docs for some functions.
 2007-06-12 14:42:16 +00:00
Harry Moffat
b48acbdd5a doxygen update 
Added docs
 2007-06-12 14:20:02 +00:00
Harry Moffat
67947032e6 Doxygen update 
Added docs.
  Took out ingroup kinetics -> doesn't seem to be a module named kinetics
   any more.
 2007-06-12 14:13:11 +00:00
Harry Moffat
ecb4307600 Added a RM to the depends rule. 2007-06-12 14:07:11 +00:00