Harry Moffat
3e4ffd2524
Added header lines to the file
2003-08-20 21:34:25 +00:00
Harry Moffat
791d990bd7
Added a CVS version comment block
2003-08-20 20:23:14 +00:00
Harry Moffat
ed40e07326
Added another test directory
2003-08-20 20:00:29 +00:00
Harry Moffat
89a7522ad6
Added a new test problem
2003-08-20 19:36:43 +00:00
Dave Goodwin
ff4720ef12
*** empty log message ***
2003-08-20 15:32:00 +00:00
Dave Goodwin
67b56ca1dc
added two new functions.
2003-08-20 15:28:24 +00:00
Dave Goodwin
9a624693bd
changed gas constant to 1999 CODATA value, removed option to not use kmol.
2003-08-20 15:27:06 +00:00
Dave Goodwin
dee706303b
get_CTML_Tree is now deprecated. Use get_XML_File in misc.cpp.
2003-08-20 15:26:09 +00:00
Dave Goodwin
0b4bde2ae0
added some 'const's
2003-08-20 15:23:26 +00:00
Dave Goodwin
a9375b30c1
added option to clear all entries in close_XML_File.
2003-08-20 15:19:33 +00:00
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
