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766 commits

Author SHA1 Message Date
Harry Moffat
eb129e8f00 In the init() routine, I set the initial mass fraction vector so that 
it sums to one. Previously, it was set uniformly to zero. The mass
fraction of species 0 is set to 1.
 This was noticed by a user, and may have resulted in seg faults before
the ThermoPhase object was properly initialized.
 2006-10-02 19:10:53 +00:00
Harry Moffat
9568195dec Fixed the Makefile that gets used in the install directories. 
autoconf variables needed updating.
 2006-10-02 16:38:09 +00:00
Harry Moffat
8996287691 Added user directory to a lot of the rules. 
Took out the cads directory.
 2006-08-21 16:44:02 +00:00
Harry Moffat
d6f22fc5e5 Added an install rule to the Makefile 2006-08-21 16:42:16 +00:00
Harry Moffat
e46567e0fa Added depends include at the end of the file. 2006-08-20 00:18:27 +00:00
Harry Moffat
6f0081ec29 Fixed clean rules. 2006-08-20 00:17:06 +00:00
Harry Moffat
9d6b4258d9 Fixed an optimization compiler warning about a possible uninitialized variable. 2006-08-19 16:08:03 +00:00
Harry Moffat
01dc3cf915 This change is needed in order for clean to work in some cases. 2006-08-15 21:59:24 +00:00
Harry Moffat
51156a44ca Added DEGUG_MODE to the defaults. 2006-08-14 20:54:38 +00:00
Harry Moffat
b23d7def2a Slightly decreased the accuracy of internal check in one case. 2006-08-14 20:38:38 +00:00
Harry Moffat
6aa9c846f4 Fixed a compilation error that popped up on SUSE 9.0. 2006-08-14 19:18:34 +00:00
Harry Moffat
19cd590ac2 Another iteration on trying to unify the water treatment between 
the 2 objects.
 2006-07-13 20:05:11 +00:00
Harry Moffat
07d5b6a6aa Unifying the water treatment between objects. 
Found a bug in getPartialMolarEntropy in HMWSoln that wasn't covered
in the test suite.
 2006-07-12 15:41:38 +00:00
Harry Moffat
60ff5fb20e Iteration on unifying water treatments in the 2 objects. 2006-07-12 00:46:34 +00:00
Dave Goodwin
ec04dbe060 *** empty log message *** 2006-07-11 18:12:06 +00:00
Dave Goodwin
f325a1b190 initial import 2006-07-11 16:30:24 +00:00
Dave Goodwin
ca65c77427 *** empty log message *** 2006-07-11 16:07:46 +00:00
Dave Goodwin
660e5a7812 commented out 2 output statements 2006-07-11 15:40:59 +00:00
Dave Goodwin
4c0648b5b2 commented out code that will try to find a cti file if the xml file is not found. 2006-07-11 15:38:22 +00:00
Dave Goodwin
3436e52eab minor cleanup 2006-07-11 15:35:46 +00:00
Dave Goodwin
6f06be3182 made destructor virtual 2006-07-11 15:34:51 +00:00
Dave Goodwin
d7cf9cc53a added some consts, and a routine to read a multiphase mixture from an input file, but this is not yet active 2006-07-11 15:33:30 +00:00
Dave Goodwin
7da64f4af7 added Crystal class, DAE_Solvers 2006-07-11 15:31:39 +00:00
Dave Goodwin
d5211ffd6b initial import 2006-07-11 15:28:51 +00:00
Dave Goodwin
b79414ece7 updated for latest sundials 2006-07-11 15:28:23 +00:00
Dave Goodwin
3662c314ee fixed minor bug that caused problems in some cases when an element was excluded. 2006-07-11 15:25:57 +00:00
Harry Moffat
d5affaa953 Took out an unneeded parameter B_Debye in Pitzer model. 
Switched to DEBUG_MODE for optional printing.
 2006-07-07 18:05:36 +00:00
Harry Moffat
ea1e5cedb8 Added the DebyeHuckel object. 
Note, this object needs a bit of work. It's not connected to the
real model of water yet.
 2006-07-07 00:27:26 +00:00
Harry Moffat
b44ec59837 Added general .h define file 2006-07-06 15:41:15 +00:00
Harry Moffat
b5c1023aa8 Added a utility routine. 2006-07-06 15:40:07 +00:00
Harry Moffat
6aa9287438 Added Pitzer Object 2006-07-06 15:39:34 +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
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