Changes required for Inversions and Base Atom types.  This will
break OOPSE badly for a few days or so...

Revision 3319 - (view) (annotate) - [select for diffs]
Modified Wed Jan 23 03:45:33 2008 UTC (16 years, 7 months ago) by gezelter
File length: 295 byte(s)
Diff to previous 1957

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.

(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor

Revision 1951 - (view) (annotate) - [select for diffs]
Modified Fri Jan 14 21:13:24 2005 UTC (19 years, 8 months ago) by gezelter
File length: 273 byte(s)
Diff to previous 1930

moved Package variable into subdirectory makefiles to speed up
the building process

merging new_design branch into OOPSE-2.0

Revision 1513 - (view) (annotate) - [select for diffs]
Modified Wed Sep 29 21:55:03 2004 UTC (19 years, 11 months ago) by tim
File length: 303 byte(s)
Diff to previous 1503

define DEV_ROOT as relative path

change Makefile to relative path

Revision 1490 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (19 years, 11 months ago) by gezelter
File length: 281 byte(s)

Import of OOPSE v. 2.0