Dave Goodwin
798a44f5ae
stopped storing ThermoPhase object, since this is self-referential in
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classes like Solution that derive from Transport and ThermoPhase.
2003-08-20 15:18:33 +00:00
Dave Goodwin
14d88d5116
stopped storing ThermoPhase objects, since this is self-referential if a
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class derives from both Kinetics and ThermoPhase, causing it to never be deleted.
2003-08-20 15:16:56 +00:00
Dave Goodwin
59b9d19f23
changed call to XML_Node constructor
2003-08-20 15:15:22 +00:00
Dave Goodwin
b0e551b36a
removed self.root, which was self-referencing.
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'build' replaced by 'get_XML_File' in constructor.
2003-08-20 15:13:45 +00:00
Harry Moffat
5e5b2a245e
More comments added
2003-08-20 15:03:27 +00:00
Harry Moffat
9d74e4f0de
Fixed an error in an argument list
2003-08-19 22:02:01 +00:00
Harry Moffat
6ff27f16bf
Added some conversion programs.
2003-08-19 17:28:21 +00:00
Harry Moffat
ea0d34ff28
Added more comments
2003-08-19 14:57:45 +00:00
Dave Goodwin
b0715adf56
*** empty log message ***
2003-08-18 17:54:11 +00:00
Dave Goodwin
d67de6ad8b
added support for specified reaction order, sticking coefficients,
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coverage dependence of rate coefficients; fixed error where site_density
was not being converted to SI.
2003-08-18 05:05:02 +00:00
Dave Goodwin
5dfee93864
added comments
2003-08-17 19:14:21 +00:00
Dave Goodwin
fb9c2d0363
Added support for coverage-dependent reaction rates and sticking coefficients,
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and reactions with specified reaction order.
2003-08-17 18:56:16 +00:00
Dave Goodwin
af33365205
cleaned up and added more comments
2003-08-17 12:47:44 +00:00
Dave Goodwin
d78dff3f1e
changed handling of reaction pre-exponential units to write converted value to CTML, rather than pass original value with a units string
2003-08-16 20:17:21 +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
Harry Moffat
1fcc324d2c
Organized the functions to list better under doxygen.
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Added more comments.
Didn't change any of the actual code.
2003-08-14 16:06:10 +00:00
Harry Moffat
0524cc9f71
Fixed an error with build(). Basically it was having trouble with
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the tag "--". I think that tag is illegal anyway.
2003-08-13 15:24:24 +00:00
Dave Goodwin
81189197f1
*** empty log message ***
2003-08-13 13:56:34 +00:00
Harry Moffat
4391c86e45
Fixed two errors in reading an xml file.
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1) empty child xml elements had an extra / character being added onto
the end of their name
2) comments with beginning and ending white space were being copied
with an extra space added on to the front and end of the string.
2003-08-13 00:55:13 +00:00
Harry Moffat
735adeaa18
Added comments.
2003-08-11 17:08:48 +00:00
Harry Moffat
9efeafe6d4
Added more comments.
2003-08-11 16:13:35 +00:00
Dave Goodwin
9a5476053c
*** empty log message ***
2003-08-11 06:00:26 +00:00
Dave Goodwin
2ea7fee44b
*** empty log message ***
2003-08-09 06:12:07 +00:00
Dave Goodwin
e66874546c
*** empty log message ***
2003-08-09 03:25:53 +00:00
Dave Goodwin
c8ebf2e949
*** empty log message ***
2003-08-09 03:04:41 +00:00
Dave Goodwin
c471052ef8
*** empty log message ***
2003-08-08 21:03:00 +00:00
Harry Moffat
918ee4a588
Added more comment.s
2003-08-08 19:58:50 +00:00
Dave Goodwin
6d852ebafd
*** empty log message ***
2003-08-08 00:34:43 +00:00
Harry Moffat
ed7949cd4a
Updated the xml data file
2003-08-07 21:49:25 +00:00
Harry Moffat
26c5c4236f
Added a make hdr-collect line.
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This is needed because the .h files in the build directory should be
kept up to date with the .a files in the build directory. Thus,
you need to update. Obviously, a more refined approach could
be envisioned where only out of date .h files are copied.
2003-08-07 21:42:49 +00:00
Dave Goodwin
10ba4fede9
*** empty log message ***
2003-08-07 17:56:02 +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
Harry Moffat
3a48ca5e5f
Added the Makefile.in input file
2003-08-07 00:23:21 +00:00
Harry Moffat
d46d6d15ac
Rebaselined these three tests. The results had changed in the
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3rd significant digit.
The changes, according to Goodwin, were most likely due to the change
in the method of inclusion of the activation energies. Basically,
a non standard kcal/mole conversion method was used to convert
activation energies to temperatures internally.
2003-08-07 00:22:11 +00:00
Harry Moffat
42c12344ed
Fixed an error in get_CTML_Tree() where the program wouldn't use
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the path where the file was found, but would assume the file
was located in the current directory. This caused an empty
ifstream to be send to build(), which then created an infinite
loop (probably another error in build() that needs to be fixed).
2003-08-07 00:16:13 +00:00
Harry Moffat
2c399cddfc
Broke a long line in two
2003-08-06 23:16:18 +00:00
Dave Goodwin
0e5c5bcf7b
*** empty log message ***
2003-08-06 22:46:11 +00:00
Harry Moffat
25f4dac3cb
Added the surfkin directory
2003-08-06 22:43:28 +00:00
Dave Goodwin
46deee41b1
*** empty log message ***
2003-08-06 20:21:09 +00:00
Dave Goodwin
d81d185bf9
*** empty log message ***
2003-08-06 20:05:00 +00:00
Harry Moffat
7f16539c86
Updated xml files
2003-08-06 18:30:27 +00:00
Harry Moffat
a59d1a233b
Fixed GRI30.h. The id was wrong and caused a test problem to fail.
2003-08-06 18:15:34 +00:00
Harry Moffat
b87d572e97
Added to cvsignore list
2003-08-06 18:13:41 +00:00
Harry Moffat
2158086053
Added a simple test that calculate a rate of production for a surface
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mechanism
2003-08-06 17:32:02 +00:00
Harry Moffat
e8d2044302
Added a get_CTML_Tree() function. It was missing though there
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was an entry in ctml.h and IdealGasMix.h used it.
2003-08-06 17:14:46 +00:00
Harry Moffat
ce4d299371
updated xml file. test passes.
2003-08-06 17:10:35 +00:00
Harry Moffat
3fe1f7393b
Added a bunch of new routines to return delta thermo values and
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reaction rate constants.
2003-08-04 23:15:42 +00:00
Harry Moffat
7aca56da5e
Fixed up a couple of issues with the stringstream block. That block
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works for reading transport databases with comments in them. The
other block seems to get hung up.
2003-08-04 23:10:57 +00:00
