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Revision 16 - (view) (annotate) - [select for diffs]
Modified Mon Jun 23 21:29:26 2008 UTC (11 years, 9 months ago) by tjod
File length: 14239 byte(s)
Diff to previous 15
Add back the command line options -d -i -x for dipole moment, vibrational data and logp.  Have error.log directed to stdout.

Revision 15 - (view) (annotate) - [select for diffs]
Modified Thu Jun 19 00:26:16 2008 UTC (11 years, 9 months ago) by tjod
File length: 14330 byte(s)
Diff to previous 3
Create new main program, mengine.c to replace gmmx.c
simplifying command line parsing (none).
Make mengine read stdin (sdf) and write stdout (sdf) instead
of files.  Makefile reflects change from gmmx to mengine.

Revision 3 - (view) (annotate) - [select for diffs]
Added Mon Jun 9 21:38:26 2008 UTC (11 years, 10 months ago) by tjod
File length: 14887 byte(s)

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