Commit graph

603 commits

Author SHA1 Message Date
Harry Moffat
6dae6c7a2c Doxygen update. Added SingleSpeciesTP to doxygen.
I took out overloaded functions that weren't doing anything.
2007-02-07 21:26:47 +00:00
Dave Goodwin
de9faa82b7 windows bug fixes by Bert Bell 2007-02-02 19:24:19 +00:00
Harry Moffat
88a7ac3da9 doxygen update.
This commit doesn't change any code. Only the doxygen related
documentation has been updated. The warning levels from doxygen
have been increased, so that undocumented parameters now cause
a warning to be issued.
This commit eliminates these warning messages.
2007-02-01 01:14:56 +00:00
Dave Goodwin
28d2554423 *** empty log message *** 2007-01-31 17:33:11 +00:00
Harry Moffat
6d3600d61a Added these files. The objects are under construction. 2007-01-31 16:26:54 +00:00
Dave Goodwin
9479564e1d misc fixes 2007-01-27 16:54:48 +00:00
Harry Moffat
78d40b62fe Doxygen update
I upped the warning levels within doxygen and then filled in
the missing information within the currently covered files.
I also created a few more doxygen modules, aiming towards getting
100% coverage of classes within at least one doxygen module.

My hope here is to start adding doxygen documentation
for the strong electrolyte thermodynamics in the near future.
2007-01-26 21:36:30 +00:00
Harry Moffat
52e2b78a18 Doxygen update:
I worked on upgrading the Cantera Error Handling section and I
eliminated all of the doxygen warning messages that I encountered.
2007-01-25 00:12:37 +00:00
Harry Moffat
6d85b768d8 Changed the estimateEP_Brinkley convergence criteria to more stringent
than the main convergence criteria in equilibrium(). This was necessary
to avoid another nonconvergence case. You don't want equilibrate() routine's
matrix algorithm to handle ill-conditioned matrices.

Changed the storage of element potentials. Now, dimensionless element
potentials are storred, instead of dimensional one. There is less dependence
on temperature.

All debugging print statements now use Cantera's writelog() utility.
2007-01-12 23:41:08 +00:00
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
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
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
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
c57ededb30 *** empty log message *** 2006-11-09 13:58:38 +00:00
Dave Goodwin
dde09cbd38 minor cleanup 2006-11-09 00:19:09 +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
704e084347 added support for modifying NASA polynomial coefficients 2006-11-06 15:20:34 +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
Harry Moffat
6654105bb5 Added an Id stamp. 2006-10-20 21:42:37 +00:00