Revision 2787 - (view) (annotate) - [select for diffs]
Modified Mon Jun 5 18:24:45 2006 UTC (18 years, 1 month ago) by gezelter
File length: 6745 byte(s)
Diff to previous 2768

Massive changes for GB code with multiple ellipsoid types (a la
Cleaver's paper).

Also, changes in hydrodynamics code to make HydroProp a somewhat
smarter class (rather than just a struct).

fixes for Hydrodynamics

Revision 2734 - (view) (annotate) - [select for diffs]
Modified Tue Apr 25 13:35:42 2006 UTC (18 years, 2 months ago) by gezelter
File length: 6811 byte(s)
Diff to previous 2732

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

Added EAM atom types to Hydro models

Revision 2646 - (view) (annotate) - [select for diffs]
Modified Tue Mar 21 00:26:55 2006 UTC (18 years, 3 months ago) by tim
File length: 6176 byte(s)
Diff to previous 2644

Fix a bug in friction calculation for ellipsoid

Verify the correctness of Ellipsoid's hydrodynamics properties

Revision 2635 - (view) (annotate) - [select for diffs]
Modified Fri Mar 17 23:51:54 2006 UTC (18 years, 3 months ago) by tim
File length: 5500 byte(s)
Diff to previous 2634

New version of Hydro is working now.

refactor Hydrodynamics module.