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
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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be envisioned where only out of date .h files are copied.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
Dave Goodwin
f36305a288
*** empty log message ***
2003-08-04 14:36:12 +00:00
Dave Goodwin
e26a9e54dd
*** empty log message ***
2003-08-04 14:31:06 +00:00
Harry Moffat
5f38880f2e
Added a dependency to library files
2003-08-04 14:27:51 +00:00
Harry Moffat
2675669646
added a comment.
2003-08-02 00:37:29 +00:00
Harry Moffat
0ee5420b4b
Added a specific named error condition for when the thermo factory
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can't find a match against a known ThermoPhase derivative class.
This can be (and is in cttables) used to catch thrown errors, so that
the kernel can be made extensible wrt other ThermoPhase derivative
classes it may not know about.
2003-08-02 00:36:33 +00:00
Harry Moffat
a29177e49a
Added a specific named error for not matching against a kinetics
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model. This can be (and is in cttables) used to catch a thrown
error condition to make the kernel extensible wrt new kinetics
managers.
2003-08-02 00:34:07 +00:00
Harry Moffat
061ae0fe6c
Added a few comments
2003-08-02 00:29:18 +00:00
Harry Moffat
4d73f22a9c
Added a comment block
2003-08-02 00:28:30 +00:00
Harry Moffat
7386e8ae07
Organized the routines into sections.
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Added a bunch of routines that report the change in thermo quantities
due to reactions.
2003-08-02 00:27:22 +00:00
Harry Moffat
8b2fd2e3a8
Took out print statements in debug blocks
2003-08-02 00:25:32 +00:00
Harry Moffat
e5a425be3c
Added a function getUnitsStandardConc() that will report in a vector
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form what the units are (in MKS) for the standard and generalized
concentrations.
This is used to find what the units are for reaction rate constants and
is used by cttables to actually print out the units for reaction
rate constants.
2003-08-02 00:24:30 +00:00
Harry Moffat
70c432b7f4
Added a function to MixTransport and MultiTransport that returns
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all of the raw transport data input from the original database.
I am using this in cttables for the print out to provide closure
to the user's expectations.
2003-08-02 00:16:27 +00:00
