Revision 127 - (view) (annotate) - [select for diffs]
Modified Fri Jun 19 18:18:02 2009 UTC (11 years, 8 months ago) by gilbertke
File length: 28532 byte(s)
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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, 10 months ago) by gilbertke
File length: 28164 byte(s)
Diff to previous 110

added monitor tag and timer code to minimizer

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Modified Thu Mar 12 01:43:50 2009 UTC (11 years, 11 months ago) by gilbertke
File length: 28147 byte(s)
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further cleanup and localization of atom data

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Modified Fri Feb 20 21:01:21 2009 UTC (12 years ago) by gilbertke
File length: 27912 byte(s)
Diff to previous 104

add job_contro.h

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Modified Fri Feb 20 14:09:46 2009 UTC (12 years ago) by gilbertke
File length: 27530 byte(s)
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full dynamic memory allocation of molecule

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Modified Thu Feb 19 01:37:38 2009 UTC (12 years ago) by gilbertke
File length: 27647 byte(s)
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major rewrite - removing global data, adding electrostatics tag to read_sdf

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Modified Tue Jan 20 18:02:33 2009 UTC (12 years, 1 month ago) by gilbertke
File length: 27128 byte(s)
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combine rings and srings to eliminate duplication

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Modified Wed Dec 3 03:46:32 2008 UTC (12 years, 2 months ago) by gilbertke
File length: 14510 byte(s)
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updated read_sdf type_mmx and first pass at using best practices

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Modified Mon Dec 1 06:44:59 2008 UTC (12 years, 2 months ago) by wdelano
File length: 14532 byte(s)
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code merge 20081130

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Modified Tue Jul 8 19:10:25 2008 UTC (12 years, 7 months ago) by tjod
File length: 14485 byte(s)
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move mengine src to reflect new freemol directory structure

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Added Mon Jun 9 21:38:26 2008 UTC (12 years, 8 months ago) by tjod
Original Path: trunk/smi23d/src/mengine/rings.c
File length: 14485 byte(s)

test