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root/freemol/trunk/src/mengine/src/pcm7.c
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Revision 104 - (view) (annotate) - [select for diffs]
Modified Fri Feb 20 14:09:46 2009 UTC (12 years, 7 months ago) by gilbertke
File length: 24111 byte(s)
Diff to previous 103 , to selected 89
full dynamic memory allocation of molecule
Revision 103 - (view) (annotate) - [select for diffs]
Modified Thu Feb 19 01:37:38 2009 UTC (12 years, 7 months ago) by gilbertke
File length: 24129 byte(s)
Diff to previous 102 , to selected 89
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 (12 years, 8 months ago) by gilbertke
File length: 10547 byte(s)
Diff to previous 90 , to selected 89
combine rings and srings to eliminate duplication
Revision 90 - (view) (annotate) - [select for diffs]
Modified Fri Jan 16 21:55:34 2009 UTC (12 years, 8 months ago) by gilbertke
File length: 10584 byte(s)
Diff to previous 89
code cleanup
Revision 89 - (view) (annotate) - [selected]
Modified Thu Jan 15 14:13:58 2009 UTC (12 years, 8 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 (12 years, 8 months ago) by gilbertke
File length: 11131 byte(s)
Diff to previous 63 , to selected 89
more cleanup and code removal
Revision 63 - (view) (annotate) - [select for diffs]
Modified Wed Dec 3 03:46:32 2008 UTC (12 years, 9 months ago) by gilbertke
File length: 17549 byte(s)
Diff to previous 58 , to selected 89
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 (12 years, 9 months ago) by wdelano
File length: 18317 byte(s)
Diff to previous 27 , to selected 89
code merge 20081130
Revision 27 - (view) (annotate) - [select for diffs]
Modified Tue Jul 8 19:10:25 2008 UTC (13 years, 2 months ago) by tjod
File length: 18103 byte(s)
Diff to previous 3 , to selected 89
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 (13 years, 3 months ago) by tjod
Original Path: trunk/smi23d/src/mengine/pcm7.c
File length: 18103 byte(s)
Diff to selected 89
test

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