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root/freemol/trunk/src/mengine/src/rings.c
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Revision 127 - (view) (annotate) - [select for diffs]
Modified Fri Jun 19 18:18:02 2009 UTC (11 years ago) by gilbertke
File length: 28532 byte(s)
Diff to previous 113
ran mmff94.sdf test suite on latest code - fixed errors in rings.c
Revision 113 - (view) (annotate) - [select for diffs]
Modified Mon Apr 13 13:58:10 2009 UTC (11 years, 3 months ago) by gilbertke
File length: 28164 byte(s)
Diff to previous 110
added monitor tag and timer code to minimizer
Revision 110 - (view) (annotate) - [select for diffs]
Modified Thu Mar 12 01:43:50 2009 UTC (11 years, 4 months ago) by gilbertke
File length: 28147 byte(s)
Diff to previous 105
further cleanup and localization of atom data
Revision 105 - (view) (annotate) - [select for diffs]
Modified Fri Feb 20 21:01:21 2009 UTC (11 years, 4 months ago) by gilbertke
File length: 27912 byte(s)
Diff to previous 104
add job_contro.h
Revision 104 - (view) (annotate) - [select for diffs]
Modified Fri Feb 20 14:09:46 2009 UTC (11 years, 4 months ago) by gilbertke
File length: 27530 byte(s)
Diff to previous 103
full dynamic memory allocation of molecule
Revision 103 - (view) (annotate) - [select for diffs]
Modified Thu Feb 19 01:37:38 2009 UTC (11 years, 4 months ago) by gilbertke
File length: 27647 byte(s)
Diff to previous 102
major rewrite - removing global data, adding electrostatics tag to read_sdf
Revision 102 - (view) (annotate) - [select for diffs]
Modified Tue Jan 20 18:02:33 2009 UTC (11 years, 5 months ago) by gilbertke
File length: 27128 byte(s)
Diff to previous 63
combine rings and srings to eliminate duplication
Revision 63 - (view) (annotate) - [select for diffs]
Modified Wed Dec 3 03:46:32 2008 UTC (11 years, 7 months ago) by gilbertke
File length: 14510 byte(s)
Diff to previous 58
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 (11 years, 7 months ago) by wdelano
File length: 14532 byte(s)
Diff to previous 27
code merge 20081130
Revision 27 - (view) (annotate) - [select for diffs]
Modified Tue Jul 8 19:10:25 2008 UTC (12 years ago) by tjod
File length: 14485 byte(s)
Diff to previous 3
move mengine src to reflect new freemol directory structure

Revision 3 - (view) (annotate) - [select for diffs]
Added Mon Jun 9 21:38:26 2008 UTC (12 years, 1 month ago) by tjod
Original Path: trunk/smi23d/src/mengine/rings.c
File length: 14485 byte(s)
test

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