Revision 1689 - (view) (annotate) - [select for diffs]
Modified Wed Mar 14 17:57:08 2012 UTC (13 years, 1 month ago) by gezelter
File length: 759 byte(s)
Diff to previous 1442

Bug fixes for GB.  Now using strength parameter mixing ideas from Wu
et al. [J. Chem. Phys. 135, 155104 (2011)].  This helps get the
dissimilar particle mixing behavior to be the same whichever order the
two particles come in.  This does require that the force field file to
specify explicitly the values for epsilon in the cross (X), side-by-side (S), 
and end-to-end (E) configurations.

Adding property set to svn entries

Revision 981 - (view) (annotate) - [select for diffs]
Modified Mon Jun 5 18:24:45 2006 UTC (18 years, 11 months ago) by gezelter
File length: 753 byte(s)
Diff to previous 676

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).

changing GB architecture

Revision 668 - (view) (annotate) - [select for diffs]
Modified Fri Oct 14 15:44:37 2005 UTC (19 years, 6 months ago) by kdaily
File length: 845 byte(s)
Diff to previous 264

Add parts for the GayBerne LJ

separating modules and C/Fortran interface subroutines