[ViewVC] Log of: group/trunk/OOPSE-4/src/applications/atom2md/atom2md.cpp

Revision 3446 - (view) (annotate) - [select for diffs]
Modified Wed Sep 10 19:51:45 2008 UTC (15 years, 9 months ago) by cli2
File length: 16284 byte(s)
Diff to previous 3319

Inversion fixes and amber mostly working

Revision 3319 - (view) (annotate) - [select for diffs]
Modified Wed Jan 23 03:45:33 2008 UTC (16 years, 5 months ago) by gezelter
File length: 16289 byte(s)
Diff to previous 2970

Removed older version of openbabel from our code.  We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need.  Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.

Revision 2970 - (view) (annotate) - [select for diffs]
Modified Wed Aug 2 19:40:39 2006 UTC (17 years, 10 months ago) by gezelter
File length: 12921 byte(s)
Diff to previous 2969

starting change of file formats

Revision 2969 - (view) (annotate) - [select for diffs]
Added Wed Aug 2 18:06:18 2006 UTC (17 years, 10 months ago) by gezelter
File length: 10530 byte(s)

Changing atom2mdin into atom2md to reflect new unified file format

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