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734 commits

Author SHA1 Message Date
Harry Moffat
71ef5ebfcc Fix for negative pre-exponential factors producing NaN rates 
of progress. This bug was reported in the Cantera newsgroup.

The fix consists of replacing
  Rc = exp ( mlogA + blogT - Ea / RT)
with
  Rc = A * exp (b logT - Ea/RT)

Therefore, the log of A never has to be taken.

Note, this also allows for a zero rate of progress for a reaction.

Consequences:
   The permissible range of the rate constant values may be altered.
   Numerical roundoff differences will occur, since the order of
    operations in key rate constant evalulations has been changed.
   Speed of the calculation may be affected. I have no idea which way.

The fix should be considered as provisional. There are different pathways
for fixing this. This is merely the simplest.
 2006-07-03 19:57:29 +00:00
Harry Moffat
228ebc78b1 Added a couple of comments. 2006-07-03 19:41:57 +00:00
Harry Moffat
20a21103cb Doxygen fixes. 2006-06-23 20:35:16 +00:00
Harry Moffat
cfdd7d7293 Doxygen formatting changes. 2006-06-23 20:31:12 +00:00
Dave Goodwin
e778904e56 added C++ combustor example 2006-06-23 14:31:19 +00:00
Dave Goodwin
4c188f51b3 added combustor example 2006-06-23 14:28:53 +00:00
Harry Moffat
f1615cbdcd Took out a spurious print statement. 2006-06-20 23:15:08 +00:00
Harry Moffat
5a8ba61ffd Reduced the number of doxygen error messages. 2006-06-19 23:15:43 +00:00
Harry Moffat
88f9171755 Added an IdealMolalSoln object. 2006-06-19 23:14:12 +00:00
Harry Moffat
4e60625f62 Added a .depends rule 2006-06-19 14:35:06 +00:00
Harry Moffat
2f0d1837b7 changed the write_int() routine to produce prettier output. 2006-06-13 17:06:07 +00:00
Harry Moffat
6b6dec5ef8 Added comments to addFloatArray() 
Corrected comments for procedure getInteger()
getFloatArray():
    Added XML name checking. The default name is still "getFloatArray".
    However, now other XML names are acceptable.
    Changed atof() calls to atofCheck()
    Changed the code so that a comma can be the last non-spaced character
    in the value field.
 2006-06-13 17:04:21 +00:00
Harry Moffat
08f2c4e098 Added support for conditional compilation of thermo directory. 2006-06-13 16:05:43 +00:00
Harry Moffat
85713b3c1f Changed importPhase to call initThermoXML, not initThermo at the 
end of its execution.
 2006-06-13 16:04:26 +00:00
Harry Moffat
1112932a31 Changed a few functions to be virtual, in order to support 
incompressible equations of state.
 2006-06-13 16:03:23 +00:00
Harry Moffat
7971238d37 Added an IdealSolidSolnPhase capability. Changed existing thermo files 
to use initThermoXML().
 2006-06-13 16:02:41 +00:00
Harry Moffat
9013880adb Fixed a typo 2006-06-13 00:57:35 +00:00
Harry Moffat
9d25a936a6 Fixed an error mentioned in the Cantera newsgroup. 2006-06-13 00:24:26 +00:00
Harry Moffat
d6f11c26ce Added the function getPartialMolarCp(). It isn't currently in the 
API, but it should be.
 2006-06-13 00:20:57 +00:00
Harry Moffat
092ee39483 Fixed a minor case which resulted in a core dump. 2006-06-13 00:19:00 +00:00
Dave Goodwin
68ba6e635b minor changes 2006-06-11 11:36:09 +00:00
Dave Goodwin
799f2b44b2 changed tdata.csv to tdata.dat 2006-06-10 17:15:32 +00:00
Dave Goodwin
141dff9da5 added fixed T flame example 2006-06-10 17:07:07 +00:00
Harry Moffat
351c9b8dac Fixed a typo and added getStandardVolumes() routine. 2006-06-08 14:05:41 +00:00
Dave Goodwin
de47fa7774 added LatticePhase to configure.in 2006-05-31 18:06:47 +00:00
Dave Goodwin
08a855359a *** empty log message *** 2006-05-30 16:15:48 +00:00
Harry Moffat
c3d097140d used popError() on two cases where errors are caught and delt with. 2006-05-27 23:34:09 +00:00
Dave Goodwin
1023b2bbcb *** empty log message *** 2006-05-26 23:08:03 +00:00
Dave Goodwin
33b114b178 *** empty log message *** 2006-05-26 23:08:03 +00:00
Dave Goodwin
08ebf5f9a8 *** empty log message *** 2006-05-26 22:53:01 +00:00
Dave Goodwin
0db629dcd9 *** empty log message *** 2006-05-20 21:12:37 +00:00
Dave Goodwin
63b3b5ebc8 initial import 2006-05-17 15:16:00 +00:00
Dave Goodwin
275865b5a9 *** empty log message *** 2006-05-17 15:14:56 +00:00
Dave Goodwin
cbb2eb6beb *** empty log message *** 2006-05-08 15:43:20 +00:00
Dave Goodwin
cfb576c774 added support for const pressure and flow reactors 2006-05-07 21:17:28 +00:00
Dave Goodwin
799b9c02e2 support for constant-pressure reactors 2006-05-06 15:34:18 +00:00
Dave Goodwin
2d5c2e0fcc initial import 2006-05-06 15:32:53 +00:00
Dave Goodwin
6314e7a563 added constant pressure reactor 2006-05-06 14:56:57 +00:00
Dave Goodwin
0cd3336f32 Windows has no sleep command 2006-05-03 20:49:22 +00:00
Dave Goodwin
bb19de47bc added electric potential 2006-05-03 19:45:39 +00:00
Dave Goodwin
c7c55cdbaf initial import 2006-05-01 23:04:34 +00:00
Dave Goodwin
265b81948d added functions to set and get the electric potential of a phase 2006-05-01 23:03:05 +00:00
Harry Moffat
d6c43f6b5c Solaris port changes. 2006-04-30 23:10:42 +00:00
Harry Moffat
ea8ef700c6 Added SunWS_cache 2006-04-30 22:23:10 +00:00
Harry Moffat
d8a8e64c35 Added SuNWS_cache 2006-04-30 22:22:18 +00:00
Harry Moffat
795bcc1df6 Fixed an error in INCDIR definition. 2006-04-30 22:20:33 +00:00
Harry Moffat
34783d2266 Made ready() a const function, 2006-04-30 22:17:15 +00:00
Harry Moffat
2b90d6827f Solaris: SunWS_cache handling 2006-04-30 22:15:06 +00:00
Harry Moffat
90a25a9c88 Solaris changes 2006-04-30 22:13:58 +00:00
Harry Moffat
9dcc35e491 Solaris changes SunWS_cache handling 2006-04-30 22:10:37 +00:00