Revision 125 - (view) (annotate) - [select for diffs]
Modified Thu Jun 18 18:38:50 2009 UTC (11 years, 8 months ago) by wdelano
File length: 9498 byte(s)
Diff to previous 124

added fn prototypes; eliminated more warnings

Revision 124 - (view) (annotate) - [select for diffs]
Modified Wed Jun 17 01:42:14 2009 UTC (11 years, 8 months ago) by gilbertke
File length: 9381 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, 10 months ago) by gilbertke
File length: 9326 byte(s)
Diff to previous 105

added code for amber energy functions

Revision 105 - (view) (annotate) - [select for diffs]
Modified Fri Feb 20 21:01:21 2009 UTC (12 years ago) by gilbertke
File length: 9449 byte(s)
Diff to previous 103

add job_contro.h

Revision 103 - (view) (annotate) - [select for diffs]
Modified Thu Feb 19 01:37:38 2009 UTC (12 years ago) by gilbertke
File length: 9342 byte(s)
Diff to previous 64

major rewrite - removing global data, adding electrostatics tag to read_sdf

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Modified Thu Dec 4 02:03:23 2008 UTC (12 years, 3 months ago) by gilbertke
File length: 9335 byte(s)
Diff to previous 27

fixed bug in routine to recognize delocalized bonds in kbond.c

Revision 27 - (view) (annotate) - [select for diffs]
Modified Tue Jul 8 19:10:25 2008 UTC (12 years, 8 months ago) by tjod
File length: 9351 byte(s)
Diff to previous 3

move mengine src to reflect new freemol directory structure

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Added Mon Jun 9 21:38:26 2008 UTC (12 years, 9 months ago) by tjod
Original Path: trunk/smi23d/src/mengine/kstrbnd.c
File length: 9351 byte(s)

test