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Revision 124 - (view) (annotate) - [select for diffs]
Modified Wed Jun 17 01:42:14 2009 UTC (11 years, 1 month ago) by gilbertke
File length: 11161 byte(s)
Diff to previous 114
updated code to remove compiler warnings
Revision 114 - (view) (annotate) - [select for diffs]
Modified Wed Apr 29 19:07:31 2009 UTC (11 years, 3 months ago) by gilbertke
File length: 11165 byte(s)
Diff to previous 113
added code for amber energy functions
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: 11272 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, 5 months ago) by gilbertke
File length: 11271 byte(s)
Diff to previous 106
further cleanup and localization of atom data
Revision 106 - (view) (annotate) - [select for diffs]
Modified Fri Feb 20 21:04:40 2009 UTC (11 years, 5 months ago) by wdelano
File length: 11260 byte(s)
Diff to previous 105
KEG_OPENMP ext
Revision 105 - (view) (annotate) - [select for diffs]
Modified Fri Feb 20 21:01:21 2009 UTC (11 years, 5 months ago) by gilbertke
File length: 11235 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, 5 months ago) by gilbertke
File length: 11247 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, 5 months ago) by gilbertke
File length: 11240 byte(s)
Diff to previous 89
major rewrite - removing global data, adding electrostatics tag to read_sdf
Revision 89 - (view) (annotate) - [select for diffs]
Modified Thu Jan 15 14:13:58 2009 UTC (11 years, 6 months ago) by gilbertke
File length: 9872 byte(s)
Diff to previous 87
resolved problem in read_sdf, removed omp pragma in ehal
Revision 87 - (view) (annotate) - [select for diffs]
Modified Mon Jan 12 17:11:11 2009 UTC (11 years, 6 months ago) by gilbertke
File length: 11118 byte(s)
Diff to previous 86
fixed corruption in mengine.c and bug in ehal.c
Revision 86 - (view) (annotate) - [select for diffs]
Modified Mon Jan 12 16:21:45 2009 UTC (11 years, 6 months ago) by gilbertke
File length: 11116 byte(s)
Diff to previous 63
rewrote ehal to remove pow(x,y) function call
Revision 63 - (view) (annotate) - [select for diffs]
Modified Wed Dec 3 03:46:32 2008 UTC (11 years, 8 months ago) by gilbertke
File length: 11028 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, 8 months ago) by wdelano
File length: 11286 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, 1 month ago) by tjod
File length: 11286 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, 2 months ago) by tjod
Original Path: trunk/smi23d/src/mengine/ehal.c
File length: 11286 byte(s)
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