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Revision 99 - (view) (annotate) - [selected]
Modified Mon Jan 19 04:31:29 2009 UTC (10 years, 8 months ago) by wdelano
File length: 4109 byte(s)
Diff to previous 96
synchronized with trunk, less openmp lib/include
Revision 96 - (view) (annotate) - [select for diffs]
Modified Sat Jan 17 23:40:13 2009 UTC (10 years, 8 months ago) by wdelano
File length: 6510 byte(s)
Diff to previous 67 , to selected 99
using last pre-openmp source version
Revision 67 - (view) (annotate) - [select for diffs]
Modified Fri Dec 5 14:18:02 2008 UTC (10 years, 9 months ago) by gilbertke
Original Path: trunk/src/mengine/src/initiali.c
File length: 6510 byte(s)
Diff to previous 63 , to selected 99
added aromatic bonds in read_sdf removed TJO bailout
Revision 63 - (view) (annotate) - [select for diffs]
Modified Wed Dec 3 03:46:32 2008 UTC (10 years, 9 months ago) by gilbertke
Original Path: trunk/src/mengine/src/initiali.c
File length: 6512 byte(s)
Diff to previous 58 , to selected 99
updated read_sdf type_mmx and first pass at using best practices
Revision 58 - (view) (annotate) - [select for diffs]
Modified Mon Dec 1 06:44:59 2008 UTC (10 years, 9 months ago) by wdelano
Original Path: trunk/src/mengine/src/initiali.c
File length: 7269 byte(s)
Diff to previous 48 , to selected 99
code merge 20081130
Revision 48 - (view) (annotate) - [select for diffs]
Modified Thu Jul 31 16:34:52 2008 UTC (11 years, 1 month ago) by tjod
Original Path: trunk/src/mengine/src/initiali.c
File length: 8974 byte(s)
Diff to previous 27 , to selected 99
Add modification notice to files modified for Freemol
per mengine/smi23d license requirements

Revision 27 - (view) (annotate) - [select for diffs]
Modified Tue Jul 8 19:10:25 2008 UTC (11 years, 2 months ago) by tjod
Original Path: trunk/src/mengine/src/initiali.c
File length: 8899 byte(s)
Diff to previous 25 , to selected 99
move mengine src to reflect new freemol directory structure

Revision 25 - (view) (annotate) - [select for diffs]
Modified Tue Jul 8 15:38:24 2008 UTC (11 years, 2 months ago) by tjod
Original Path: trunk/smi23d/src/mengine/initiali.c
File length: 8899 byte(s)
Diff to previous 3 , to selected 99
Incoporate the parameter files mmff94.prm and mmxconst.prm
into the mengine code by turning them into header files.
Each line becomes a string array element that is parsed in
place of lines in the .prm files.  The .prm files are no
longer needed, but are not deleted from the repository.

Revision 3 - (view) (annotate) - [select for diffs]
Added Mon Jun 9 21:38:26 2008 UTC (11 years, 3 months ago) by tjod
Original Path: trunk/smi23d/src/mengine/initiali.c
File length: 8899 byte(s)
Diff to selected 99
test

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