GreenPolyProducts/cantera
5
0
Fork 0
mirror of https://github.com/Cantera/cantera.git synced 2025-02-25 18:55:29 -06:00
Code Issues Packages Projects Releases Wiki Activity
1,084 Commits 12 Branches 43 Tags
a6294b4760466fa25c5fa5569e84d44b445fea34
Commit Graph

1084 Commits

This Branch
This Branch
All Branches
Author SHA1 Message Date
Harry Moffat
a6294b4760 Added a couple more tests for electrochemistry. 2006-07-04 00:41:11 +00:00
Harry Moffat
f2e20a9218 Added another test. 2006-07-04 00:40:17 +00:00
Harry Moffat
d294f18177 Triple point calcultion test routine. 2006-07-04 00:39:45 +00:00
Harry Moffat
1f8fcc9cc4 Second test. 2006-07-04 00:32:12 +00:00
Harry Moffat
b6b3789a6f Added the first test for IAPWS 2006-07-04 00:21:28 +00:00
Harry Moffat
29bd558cc2 First commit of water properties routines. These are 
under-the-hood routines for calculation of water electrolyte
thermochemistry.
 2006-07-04 00:01:53 +00:00
Harry Moffat
e7615eca8b Added a new test directory. 2006-07-03 19:59:12 +00:00
Harry Moffat
89c62f458a Added a new test that captures negative A factors. 2006-07-03 19:58:43 +00:00
Harry Moffat
cdec1ffeee Added a new test. 2006-07-03 19:57:58 +00:00
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
201f6cceb5 python=minimal fixes on cygwin 2006-06-23 23:23:03 +00:00
Harry Moffat
0b8e0297bf Added gri30.xml, so this example will work under the none python option. 2006-06-23 21:04:30 +00:00
Harry Moffat
e99d457fba Fixed an error in the clean rule. 2006-06-23 21:01:27 +00:00
Harry Moffat
20a21103cb Doxygen fixes. 2006-06-23 20:35:16 +00:00
Harry Moffat
9a6b2185b3 Additions to doxygen documentation. 
Fixes to doxygen docs -> eliminated all of the warnings and ommitted
 pages.
 2006-06-23 20:33:44 +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
48285fbe21 Added frac.xml, since this is now a required file. 2006-06-22 15:10:10 +00:00
Harry Moffat
19b1def17f Fixed an error in figuring out what time stamp program, tscompare, works 
on the current system.
 2006-06-22 13:47:49 +00:00
Harry Moffat
07844d92f7 Added the diamond.xml file. It's now a prerequisite towards running 
the problem.
 2006-06-22 13:43:50 +00:00
Harry Moffat
664ba76fce Replaced silane.cti with silane.xml so that it will work for 
python none installation.
 2006-06-21 00:00:08 +00:00
Harry Moffat
93427d1f42 Commented out CANTERA_DATA statement. On the x86-linux1 cf machine, this 
was causing the test to crash for some reason.
 2006-06-20 23:52:32 +00:00
Harry Moffat
f4db5c279a Took out spurious output from the blessed file. 2006-06-20 23:16:03 +00:00
Harry Moffat
f1615cbdcd Took out a spurious print statement. 2006-06-20 23:15:08 +00:00
Harry Moffat
df9c0399ab Made this test work for python=none. 2006-06-20 23:11:06 +00:00
Harry Moffat
218535f66d Added a few directories: 
min_python
 2006-06-20 23:04:28 +00:00
Harry Moffat
0496f6a69b First cut at getting rid of the false bad test results for the 
python = none option. min_python dir will include the
minimal python installation tests
 2006-06-20 23:03:32 +00:00
Harry Moffat
bbcaebc26c changed the input file to diamond.xml, so that python="none" installations 
will pass this test.
 2006-06-20 22:48:41 +00:00
Harry Moffat
ba3601c041 Changed surfdemo.cpp to read gri30.xml. 
Thus, this test will pass if python option is set to none.
 2006-06-20 22:36:12 +00:00
Harry Moffat
5eedbc5359 Changed NUMARRAY_HOME so that it doesn't have a default in preconfig. 
NUMARRAY_INC_DIR is now constructed from NUMARRAY_HOME in the following
prioritized way depending upon the existance of directories:

    NUMARRAY_INC_DIR=$NUMARRAY_HOME/include/python2.4
    NUMARRAY_INC_DIR=$NUMARRAY_HOME/include/python2.3
    NUMARRAY_INC_DIR=$NUMARRAY_HOME/include/python

Additionally, NUMARRAY_INC_DIR can now be input directly. NUMARRAY_HOME
is only used to set NUMARRAY_INC_DIR.

Note, the new method now conforms to what the numarray installer
actually does.
 2006-06-20 21:58:27 +00:00
Harry Moffat
21cf7649eb Fixed compilation of this on a linux platform in the compile farm. 
Didn't like declarations in a switch statement.
 2006-06-20 13:56:59 +00:00
Harry Moffat
ea1303a32d Makde Cantera.cfg a configurable file. Previously there were several 
hard coded paths in the file.
 2006-06-19 23:25:53 +00:00
Harry Moffat
59558a60e0 Added the GRAPHVIZDIR variable to the configure script. 
This is used to locate the dot executable, when using doxygen.
 2006-06-19 23:21:43 +00:00
Harry Moffat
f1cca1b488 Added a new test, ims. 2006-06-19 23:19:52 +00:00
Harry Moffat
e3762fc983 Added a new test. 2006-06-19 23:19:11 +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
665b868dc7 Added support for conditional use of ideal solid solutions. 2006-06-13 16:11:17 +00:00
Harry Moffat
6f6cfb2ec7 Added a test problem for ideal solid solutions. 2006-06-13 16:09:14 +00:00
Harry Moffat
b3e610fa20 Added makefiles. 2006-06-13 16:07:28 +00:00
Harry Moffat
831ba2466f Added a cathermo test directory. 2006-06-13 16:06:36 +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