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824 commits

Author SHA1 Message Date
Harry Moffat
d978389e98 Changes to handle systems where the number of components is less 
than the number of elements.
 2007-01-02 00:30:59 +00:00
Harry Moffat
857af1e25b Modification to some of the ChemEquil algorithms to handle charged 
species effectively and to handle equilibrium situations where the
number of components is less than the number of elements.
 2007-01-01 21:20:07 +00:00
Harry Moffat
0c6a8197e9 solaris port 
std:: additions
 2006-12-14 20:51:47 +00:00
Dave Goodwin
56163cab17 *** empty log message *** 2006-12-14 18:48:57 +00:00
Harry Moffat
271f6edbe9 solaris port 
Added the @CXX_DEPENDS@ variable.
 2006-12-14 18:42:19 +00:00
Harry Moffat
5fc5fa51c5 solaris port 2006-12-14 18:34:56 +00:00
Harry Moffat
f7eedd6855 solaris port 
std:: additions
 2006-12-14 18:29:40 +00:00
Harry Moffat
10609920f7 solaris port 
std:: additions.
 2006-12-14 18:28:01 +00:00
Harry Moffat
89339ce847 solaris port 
std:: additions
 2006-12-14 18:24:25 +00:00
Harry Moffat
438c1476e6 solaris port; 
std:: additions
 2006-12-14 18:17:12 +00:00
Harry Moffat
3899dfcdf6 solaris port: 
std:: of exit() and atoi, atof
 2006-12-14 18:11:13 +00:00
Harry Moffat
798e774cf3 solaris port: 
std::inner_product()
 2006-12-14 18:07:28 +00:00
Harry Moffat
ba8a8e5bf7 solaris port: 
std::copy
 2006-12-14 18:04:59 +00:00
Harry Moffat
46d984cf63 solaris port: 
std:: applied to copy()
 2006-12-14 18:03:37 +00:00
Dave Goodwin
7c3d9c8320 fixed minor bugs that kept toolbox from building under R2006b -- dont call mxGetPr with a char variable --. 2006-12-14 17:48:51 +00:00
Harry Moffat
8b581a8c8b solaris port: 
sqrt to std:sqrt
 2006-12-14 16:53:15 +00:00
Harry Moffat
62094d1efa solaris port: 
std::copy
 2006-12-14 16:51:07 +00:00
Harry Moffat
5833af53c7 Added std:: to fill() command. 
solaris port issues
 2006-12-14 16:46:49 +00:00
Harry Moffat
921caa1e5d Upgraded the BasisOptimize file. It now has been tested a bit more. 
ElementRearrange() function has been added to it.

ChemEquil has been upgraded. It now uses BasisOptimize. A better
estimateElementPotentials() function has been installed that doesn't
lead to as many stalls in the main algorithm. This is achieved by
making sure that estimated mole fractions of component species are
significant.

Various tweaks to estimateEP_Brinkley() has been added. It now passes the
gri30 test problem in the fuego_tabular_props application.
 2006-12-12 02:23:26 +00:00
Harry Moffat
369b20af88 Fixed a potential unsatisfied external, if someone were to define 
DEBUG_HKM.
 2006-12-11 18:42:13 +00:00
Harry Moffat
971772db0d Utility commit: 
Fixed an error in ChemEquil.cpp where there was an overwrite of an
   array.
   Added a getMoles() command to MultiPhase object.
   Added the file BasisOptimize which calculates the number of components
in a multiphase problem rigorously, using a QR factorization of the
stoichiometric coefficent matrix, and calculates an optimized basis
set of components using those species with the largest concentrations.
It also calculates the formationRxnMatrix based on those components.
This routine isn't hooked into anything yet.
 2006-12-11 18:29:43 +00:00
Harry Moffat
72a6de13a4 Uupdaetd the structure of the namespaces so that it would compile. 2006-11-28 18:44:23 +00:00
Harry Moffat
fef034f8a8 Added namespace qualifiers to the string type. 2006-11-28 18:03:49 +00:00
Dave Goodwin
ce73f8bacd removed using namespace statements from Cantera header files, and fully qualified most members of std (string, vector< >, etc.) in header files. User programs may need to have "using namespace" statements added. 2006-11-27 21:43:30 +00:00
Dave Goodwin
85151c2a98 added pfr example 2006-11-14 09:20:21 +00:00
Dave Goodwin
655cfd351d minor cleanup 2006-11-14 08:40:59 +00:00
Dave Goodwin
3b2065d2a6 minor cleanup 2006-11-13 19:55:36 +00:00
Dave Goodwin
3c22a320e3 minor changes to how dependencies are handled in Makefiles 2006-11-11 13:23:11 +00:00
Dave Goodwin
9ec6705279 *** empty log message *** 2006-11-11 12:12:27 +00:00
Dave Goodwin
56548239eb minor cleanup 2006-11-10 13:48:48 +00:00
Dave Goodwin
9de14b2b6a *** empty log message *** 2006-11-09 21:01:15 +00:00
Dave Goodwin
e9255461b7 *** empty log message *** 2006-11-09 14:29:14 +00:00
Dave Goodwin
c57ededb30 *** empty log message *** 2006-11-09 13:58:38 +00:00
Dave Goodwin
371a3c4198 added fuel cell demo 2006-11-09 13:04:39 +00:00
Dave Goodwin
dde09cbd38 minor cleanup 2006-11-09 00:19:09 +00:00
Dave Goodwin
b88572545c install Makefiles for python demos 2006-11-08 23:58:50 +00:00
Dave Goodwin
80f10dbf48 added Makefiles to run all demos 2006-11-08 23:14:10 +00:00
Dave Goodwin
5c13ab25c6 *** empty log message *** 2006-11-08 01:15:13 +00:00
Dave Goodwin
eee9f3023d *** empty log message *** 2006-11-07 23:35:59 +00:00
Dave Goodwin
bdd1165311 added verbose, setVerbose 2006-11-07 21:03:44 +00:00
Dave Goodwin
46656e5e46 added setName 2006-11-07 21:02:21 +00:00
Dave Goodwin
36f3254010 added method concentration(int k) 2006-11-07 13:47:39 +00:00
Dave Goodwin
a1d59baa09 added NASA polynomial example 2006-11-06 15:27:45 +00:00
Dave Goodwin
704e084347 added support for modifying NASA polynomial coefficients 2006-11-06 15:20:34 +00:00
Dave Goodwin
35448ed0c7 updated for Cantera 1.7 2006-11-03 01:33:25 +00:00
Dave Goodwin
dae5c70516 *** empty log message *** 2006-10-31 19:09:49 +00:00
Dave Goodwin
9f34a57aa6 fixed bug that resulted in incorrect computation of product concentration products when rxn has 4 or more product molecules and one or more has a stoich coeff > 1 2006-10-31 19:09:29 +00:00
Dave Goodwin
85ef6f2c1d *** empty log message *** 2006-10-25 21:27:59 +00:00
Dave Goodwin
2df82ea520 sundials version detection 2006-10-23 01:13:42 +00:00
Dave Goodwin
d4672515bd moved declaration of nCutoff to avoid jumping over it, causing a compile failure with gcc 4.0.1 on linuxChemEquil.cpp 2006-10-23 00:56:31 +00:00