new implement of quickLate using visitor and composite pattern

Revision 1113 - (view) (annotate) - [select for diffs]
Modified Thu Apr 15 16:18:26 2004 UTC (21 years ago) by tim
File length: 2057 byte(s)
Diff to previous 1097

fix whole bunch of bugs :-)

Changes for RigidBody dynamics (Somewhat extensive)

Revision 999 - (view) (annotate) - [select for diffs]
Modified Fri Jan 30 15:01:09 2004 UTC (21 years, 3 months ago) by chrisfen
File length: 6338 byte(s)
Diff to previous 878

Substantial changes. OOPSE now has a working WATER.cpp forcefield and parser.
This involved changes to WATER.cpp and ForceFields amoung other files. One important
note: a hardwiring of LJ_rcut was made in calc_LJ_FF.F90. This will be removed on
the next commit...

Changes for gradients (to do minimizations)

Revision 829 - (view) (annotate) - [select for diffs]
Modified Tue Oct 28 16:03:37 2003 UTC (21 years, 6 months ago) by gezelter
File length: 5927 byte(s)
Diff to previous 802

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.

Contiuned work on staticProps. should be in a position where it will compile and run first runs.

Revision 689 - (view) (annotate) - [select for diffs]
Modified Tue Aug 12 19:56:49 2003 UTC (21 years, 8 months ago) by tim
File length: 6185 byte(s)
Diff to previous 670

debugging globals

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

Revision 669 - (view) (annotate) - [select for diffs]
Modified Thu Aug 7 00:47:33 2003 UTC (21 years, 8 months ago) by chuckv
File length: 7711 byte(s)
Diff to previous 631

Bug fixes for eam...

Added massive changes for eam....

Revision 611 - (view) (annotate) - [select for diffs]
Modified Tue Jul 15 17:10:50 2003 UTC (21 years, 9 months ago) by gezelter
File length: 7429 byte(s)
Diff to previous 599

Fixing  pressure tensor

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 (21 years, 9 months ago) by mmeineke
File length: 7048 byte(s)
Diff to previous 413

found a bug. Unit vectors were not being updated

fixed a couple of the "static" bugs in  Atom and Exclude

Revision 409 - (view) (annotate) - [select for diffs]
Modified Wed Mar 26 21:04:38 2003 UTC (22 years, 1 month ago) by gezelter
File length: 7436 byte(s)
Diff to previous 393

Make Atom.cpp able to add and delete ranges of atoms

little bug fixes here and there

Revision 378 - (view) (annotate) - [select for diffs]
Modified Fri Mar 21 17:42:12 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 8651 byte(s)
Copied from: branches/mmeineke/OOPSE/libmdtools/Atom.hpp 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