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

Revision 3429 - (view) (annotate) - [select for diffs]
Modified Thu Jul 3 12:45:30 2008 UTC (16 years, 10 months ago) by gezelter
File length: 10916 byte(s)
Diff to previous 3424

Cleaning up oopseformat and adding inversion terms

Revision 3424 - (view) (annotate) - [select for diffs]
Modified Tue Jul 1 13:28:23 2008 UTC (16 years, 10 months ago) by gezelter
File length: 16323 byte(s)
Diff to previous 3319

Adding infrastructure for Amber force field.

Revision 3319 - (view) (annotate) - [select for diffs]
Added Wed Jan 23 03:45:33 2008 UTC (17 years, 3 months ago) by gezelter
File length: 11923 byte(s)

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.

Convenience Links

Links to HEAD: (view) (annotate)

Compare Revisions

This form allows you to request diffs between any two revisions of this file. For each of the two "sides" of the diff, enter a numeric revision.

	Diffs between and
	Type of Diff should be a