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1092 commits 2 branches 16 tags 37 MiB
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47 commits

Author SHA1 Message Date
Harry Moffat
b5c1023aa8 Added a utility routine. 2006-07-06 15:40:07 +00:00
Harry Moffat
228ebc78b1 Added a couple of comments. 2006-07-03 19:41:57 +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
Dave Goodwin
f5ffa16a48 changed from using ctvector to using std::vector. Required replacing v.begin() in many places by &v[0]. Macro DATA_PTR(v) defined for readability. 2006-04-28 17:22:23 +00:00
Dave Goodwin
53cbe7e119 *** empty log message *** 2006-04-11 07:15:48 +00:00
Harry Moffat
2fe5f76650 Generalization of the getStick() routine, to include the 
case where you have bulk reactants as well as surface reactants
and a single gas phase reactant.
 2005-10-22 00:53:22 +00:00
Dave Goodwin
791a00ed1e allow tolerance on reaction element balances, rather than requiring precise balance 2005-07-14 18:40:13 +00:00
Dave Goodwin
9bd690ae04 Prerelease_1_6_0_branch merged into trunk 2005-06-18 16:58:39 +00:00
Dave Goodwin
4c65331514 *** empty log message *** 2004-12-02 22:11:28 +00:00
Dave Goodwin
ce0d92c621 changed buildSolutionFromXML to use get_XML_NameID instead of get_XML_Node 2004-11-24 03:08:06 +00:00
Dave Goodwin
cdcc1078a7 moved arrays used to check for dup rxns into a class to avoid problems with initialization on some systems (FreeBSD) 2004-10-10 12:11:29 +00:00
Dave Goodwin
1faf4d5a2a cleanup 2004-10-09 15:00:42 +00:00
Dave Goodwin
cfcb353a5f added ability to specify beta for charge transfer reactions 2004-09-20 10:18:02 +00:00
Harry Moffat
b84664267b static_cast to eliminate VC++ warning messages. 2004-07-02 14:39:29 +00:00
Dave Goodwin
32f865ef26 moved functions to read XML input files out of importCTML.cpp and into specific classes 2004-06-09 00:59:23 +00:00
Harry Moffat
aaab5eb02c Made checkRxnElementBalance global scoped, so that it could be used 
in cads package.
 2004-04-23 19:55:34 +00:00
Harry Moffat
d5d4bacdd7 Strictly formatting- 
broke up long lines
  added a few comments.
 2004-04-23 19:05:41 +00:00
Dave Goodwin
d68036396e *** empty log message *** 2004-04-23 19:02:13 +00:00
Dave Goodwin
529fa6b751 added function checkRxnElementBalance, and modified importReaction to call it before adding a reaction to check that it is balanced. 2004-04-23 16:34:31 +00:00
Dave Goodwin
5b4bda0f81 *** empty log message *** 2004-04-22 22:20:37 +00:00
Dave Goodwin
d298e3b4b0 *** empty log message *** 2004-03-12 05:59:53 +00:00
Dave Goodwin
dbc7aec069 *** empty log message *** 2004-03-10 14:30:55 +00:00
Dave Goodwin
3b3b97942d *** empty log message *** 2004-02-17 20:05:26 +00:00
Dave Goodwin
80b2acc53a *** empty log message *** 2004-02-16 23:18:38 +00:00
Dave Goodwin
2e6c5ad2a1 *** empty log message *** 2004-02-03 03:31:05 +00:00
Dave Goodwin
8bc8697865 cleanup 2003-12-13 14:35:25 +00:00
Dave Goodwin
ec71c9dd36 - 2003-11-24 16:39:27 +00:00
Dave Goodwin
d95df61602 *** empty log message *** 2003-11-01 04:50:35 +00:00
Harry Moffat
1c51cc7f78 Added the function get_XML_NameID, which does a search on the xml 
element name and id attribute.

Made importSpecies() a global function. I needed this in order to
read in enhancements to the XML data file for the PartSpecPhase
class.
 2003-09-03 18:39:12 +00:00
Harry Moffat
1133733d3f Added more comments. 2003-08-21 22:35:29 +00:00
Dave Goodwin
ff4720ef12 *** empty log message *** 2003-08-20 15:32:00 +00:00
Harry Moffat
5e5b2a245e More comments added 2003-08-20 15:03:27 +00:00
Dave Goodwin
b0715adf56 *** empty log message *** 2003-08-18 17:54:11 +00:00
Dave Goodwin
fb9c2d0363 Added support for coverage-dependent reaction rates and sticking coefficients, 
and reactions with specified  reaction order.
 2003-08-17 18:56:16 +00:00
Dave Goodwin
ef8f30c7f7 *** empty log message *** 2003-08-15 15:45:42 +00:00
Dave Goodwin
6acfea61ff *** empty log message *** 2003-08-15 02:54:09 +00:00
Dave Goodwin
81189197f1 *** empty log message *** 2003-08-13 13:56:34 +00:00
Dave Goodwin
98c282ca68 *** empty log message *** 2003-08-07 17:50:36 +00:00
Harry Moffat
26086b13c7 Added a lot of comments to the routine. 2003-08-07 15:59:53 +00:00
Dave Goodwin
d81d185bf9 *** empty log message *** 2003-08-06 20:05:00 +00:00
Dave Goodwin
e26a9e54dd *** empty log message *** 2003-08-04 14:31:06 +00:00
Dave Goodwin
0d00c29e75 *** empty log message *** 2003-07-30 00:27:26 +00:00
Dave Goodwin
76526a6aa3 *** empty log message *** 2003-07-04 06:37:42 +00:00
Dave Goodwin
6f9256ec0c *** empty log message *** 2003-06-27 14:19:16 +00:00
Dave Goodwin
2a00814a9d *** empty log message *** 2003-06-07 23:53:49 +00:00
Dave Goodwin
32fed991cf - 2003-05-13 19:43:30 +00:00
Dave Goodwin
1e8d3822ff Initial revision 2003-04-14 17:57:48 +00:00