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Revision 115 - (view) (annotate) - [select for diffs]
Modified Thu May 7 14:35:26 2009 UTC (11 years, 2 months ago) by gilbertke
File length: 28363 byte(s)
Diff to previous 114
added charge-charge routines
Revision 114 - (view) (annotate) - [select for diffs]
Modified Wed Apr 29 19:07:31 2009 UTC (11 years, 2 months ago) by gilbertke
File length: 27635 byte(s)
Diff to previous 111
added code for amber energy functions
Revision 111 - (view) (annotate) - [select for diffs]
Modified Thu Mar 12 14:12:33 2009 UTC (11 years, 4 months ago) by gilbertke
File length: 24582 byte(s)
Diff to previous 110
more atom localization
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: 24107 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: 24029 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: 24111 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: 24129 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: 10547 byte(s)
Diff to previous 90
combine rings and srings to eliminate duplication
Revision 90 - (view) (annotate) - [select for diffs]
Modified Fri Jan 16 21:55:34 2009 UTC (11 years, 5 months ago) by gilbertke
File length: 10584 byte(s)
Diff to previous 89
code cleanup
Revision 89 - (view) (annotate) - [select for diffs]
Modified Thu Jan 15 14:13:58 2009 UTC (11 years, 5 months ago) by gilbertke
File length: 11695 byte(s)
Diff to previous 85
resolved problem in read_sdf, removed omp pragma in ehal
Revision 85 - (view) (annotate) - [select for diffs]
Modified Mon Jan 12 15:05:44 2009 UTC (11 years, 6 months ago) by gilbertke
File length: 11131 byte(s)
Diff to previous 63
more cleanup and code removal
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: 17549 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: 18317 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: 18103 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/pcm7.c
File length: 18103 byte(s)
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