Revision 3444 - (view) (annotate) - [select for diffs]
Modified Wed Sep 10 19:40:06 2008 UTC (16 years ago) by cli2
File length: 19478 byte(s)
Diff to previous 3437

Fixes for Torsions and Inversions, Amber is mostly working now.

Many fixes

Revision 3432 - (view) (annotate) - [select for diffs]
Modified Mon Jul 14 12:35:58 2008 UTC (16 years, 2 months ago) by gezelter
File length: 20064 byte(s)
Diff to previous 3430

Changes for implementing Amber force field:  Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.

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

Revision 3424 - (view) (annotate) - [select for diffs]
Modified Tue Jul 1 13:28:23 2008 UTC (16 years, 2 months ago) by gezelter
File length: 15758 byte(s)
Diff to previous 3286

Adding infrastructure for Amber force field.

Many fixes for Charmm-type torsions.

Revision 3153 - (view) (annotate) - [select for diffs]
Modified Fri Jul 6 18:15:03 2007 UTC (17 years, 2 months ago) by chuckv
File length: 9497 byte(s)
Diff to previous 2759

Changes to allow for non-bonded interactions.

Adding single precision capabilities to c++ side

Revision 2722 - (view) (annotate) - [select for diffs]
Modified Thu Apr 20 18:24:24 2006 UTC (18 years, 4 months ago) by gezelter
File length: 8418 byte(s)
Diff to previous 2520

Complete rewrite of spline code and everything that uses it.

Force options passed to fortran.

Revision 2204 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (19 years, 5 months ago) by gezelter
File length: 8090 byte(s)
Diff to previous 2172

xemacs has been drafted to perform our indentation services

destory atom type in fortran side

Revision 1930 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (19 years, 8 months ago) by gezelter
File length: 8422 byte(s)
Diff to previous 1711

merging new_design branch into OOPSE-2.0

added new classes in progress