Revision 1097 - (view) (annotate) - [select for diffs]
Modified Mon Apr 12 20:32:20 2004 UTC (20 years, 2 months ago) by gezelter
File length: 14176 byte(s)
Diff to previous 1046

Changes for RigidBody dynamics (Somewhat extensive)

single version of energy minimization is working.

Revision 878 - (view) (annotate) - [select for diffs]
Modified Fri Dec 12 15:42:13 2003 UTC (20 years, 6 months ago) by gezelter
File length: 12321 byte(s)
Diff to previous 829

Changes for gradients (to do minimizations)

replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.

Revision 788 - (view) (annotate) - [select for diffs]
Modified Thu Sep 25 21:17:16 2003 UTC (20 years, 9 months ago) by mmeineke
File length: 8913 byte(s)
Diff to previous 787

fixed some additional remarks from icc -w3 (extra verbose output)

cleaned things with gcc -Wall and g++ -Wall

Revision 690 - (view) (annotate) - [select for diffs]
Modified Tue Aug 12 21:44:06 2003 UTC (20 years, 10 months ago) by mmeineke
File length: 8918 byte(s)
Diff to previous 689

fixed a really annoying bug in Directional Atom, where mu was getting written to pseudorandom memory location.

debugging globals

Revision 670 - (view) (annotate) - [select for diffs]
Modified Thu Aug 7 21:47:18 2003 UTC (20 years, 11 months ago) by mmeineke
File length: 8744 byte(s)
Diff to previous 599

switched SimInfo to use a system configuration from SimState rather than arrays from Atom

added get and set routines to Atom and DirectionalAtom

Revision 597 - (view) (annotate) - [select for diffs]
Modified Mon Jul 14 21:28:54 2003 UTC (20 years, 11 months ago) by mmeineke
File length: 4848 byte(s)
Diff to previous 414

found a bug. Unit vectors were not being updated

the skeleton for making the molecules is in place. ForceField needs to be updated next.

Revision 378 - (view) (annotate) - [select for diffs]
Modified Fri Mar 21 17:42:12 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 4896 byte(s)
Copied from: branches/mmeineke/OOPSE/libmdtools/DirectionalAtom.cpp revision 377
Diff to previous 377

This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.

New OOPSE Tree