Revision 3319 - (view) (annotate) - [select for diffs]
Modified Wed Jan 23 03:45:33 2008 UTC (17 years, 3 months ago) by gezelter
File length: 2604 byte(s)
Diff to previous 2734

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.

Using OpenBabel element table to pick vdw radii for hydrodynamics
if the LJ sigma can't be found.

Revision 2634 - (view) (annotate) - [select for diffs]
Modified Fri Mar 17 23:20:35 2006 UTC (19 years, 1 month ago) by tim
File length: 2569 byte(s)
Diff to previous 2623

refactor Hydrodynamics module.

Adding RoughShell and BeadModel