[ViewVC] Log of: OpenMD/trunk/src/applications/hydrodynamics/ShapeBuilder.hpp

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
File length: 2659 byte(s)
Diff to previous 1210

Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)

Revision 1210 - (view) (annotate) - [select for diffs]
Modified Wed Jan 23 03:45:33 2008 UTC (17 years, 3 months ago) by gezelter
File length: 2617 byte(s)
Diff to previous 972

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 972 - (view) (annotate) - [select for diffs]
Modified Wed May 24 18:31:12 2006 UTC (18 years, 11 months ago) by gezelter
File length: 2638 byte(s)
Diff to previous 946

fixes for Hydrodynamics

Revision 946 - (view) (annotate) - [select for diffs]
Modified Tue Apr 25 13:35:42 2006 UTC (19 years ago) by gezelter
File length: 2651 byte(s)
Diff to previous 906

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

Revision 906 - (view) (annotate) - [select for diffs]
Added Fri Mar 17 23:20:35 2006 UTC (19 years, 1 month ago) by tim
File length: 2594 byte(s)

refactor Hydrodynamics module.

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