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9ec6705279fd509af3082879f8f8562ddfa47eda
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Author SHA1 Message Date
Dave Goodwin
9ec6705279 *** empty log message *** 2006-11-11 12:12:27 +00:00
Dave Goodwin
11c8930548 fixed null username 2006-11-11 01:38:49 +00:00
Dave Goodwin
29335b4442 added writing PYTHONPATH to setup_Cantera for min_Python 2006-11-11 01:37:58 +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
40eb712c68 *** empty log message *** 2006-11-09 14:07:05 +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
671492566d *** empty log message *** 2006-11-08 01:42:13 +00:00
Dave Goodwin
50ee030af3 *** empty log message *** 2006-11-08 01:36:24 +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
d1029224fb added mechanism for partial oxidation of methane on platinum from the Deutschmann group 2006-11-05 15:54:12 +00:00
Dave Goodwin
6237e71576 updated 2006-11-03 20:45:20 +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
1481f13b94 modified for cygwin 2006-10-30 19:30:59 +00:00
Dave Goodwin
ea1665fd3e mods for cygwin 2006-10-27 20:34:02 +00:00
Dave Goodwin
55a27903cb *** empty log message *** 2006-10-27 02:04:54 +00:00
Dave Goodwin
33c2855cdf *** empty log message *** 2006-10-26 18:40:05 +00:00
Dave Goodwin
6e59414bd6 *** empty log message *** 2006-10-25 22:23:43 +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
1276dda28c *** empty log message *** 2006-10-23 00:58:28 +00:00
Dave Goodwin
59c36def34 debug off is noe the default 2006-10-23 00:58:11 +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
Dave Goodwin
ab15545caf removed FLIBS 2006-10-23 00:51:39 +00:00
Harry Moffat
56b9bc371e Added -s to make tests. 2006-10-20 21:56:39 +00:00
Harry Moffat
b991a3d03b Added a file. 2006-10-20 21:55:35 +00:00
Harry Moffat
1211a0ed59 Added an exit variable. 2006-10-20 21:54:15 +00:00
Harry Moffat
310377466d Slight change to the blessed solution. 2006-10-20 21:47:21 +00:00
Harry Moffat
6ed3863af4 Added new test directories. 2006-10-20 21:43:47 +00:00
Harry Moffat
6654105bb5 Added an Id stamp. 2006-10-20 21:42:37 +00:00
Harry Moffat
d822a62476 Fixed an error in the LogGroup system. 2006-10-20 21:41:54 +00:00
Harry Moffat
a9053bfd50 eliminated an unused variable. 2006-10-20 21:40:40 +00:00
Harry Moffat
240c93ff4f Reworking of the solver algorithm within ChemEquil: 
Much of the algorithm for relaxing the element potentials
to equilibrium employs the Brinkley algorithm (const T, P)
(p. 129 Smith and Missen). This algorithm does better at
relaxing the system towards steady state from a bad initial
guess.

   The old algorithm now does the last little bit and it does
the calculation for fixed pairs other than const T, P, using
the Brinkley algorithm's initial guess.

  Modified the damping algorithm in the old method. It now doesn't
create false convergence failures when it is close to the
end of the calculation.

  The new solver has been tested against a matrix of initial conditions
for the gri30 mechanism and a 200 species jp8 mechanism.

Yet to do:
   This routine should work but has not been checked out against:
      phases with electric charge
      nonideal phases.
   This routine should probably not yet work with
      molality based phases.
   More work may have to be done with the Brinkley algorithm for
   problems which suffer from stoichiometric constraints. A full
   Gauss-Jordon elimination step should probably be added to
   flag cases where there are effective stoichiometric constraints.
 2006-10-20 21:34:00 +00:00
Harry Moffat
653e9fac7a Added more error control and checking. This is needed for new 
test problems.
 2006-10-20 21:22:30 +00:00
Harry Moffat
3ce657f0c7 Added a couple of comments. 2006-10-20 21:20:27 +00:00
Harry Moffat
ea76725720 Change to the function getElementPotentials(). It now returns a 
boolean to indicate whether the object has element potentials or not.
 2006-10-20 21:19:35 +00:00
Harry Moffat
7a5c817597 Change to setToEquilState() to guard against inf results. 2006-10-20 21:17:12 +00:00