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: 6369 byte(s)
Diff to previous 787

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...

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

Revision 707 - (view) (annotate) - [select for diffs]
Modified Wed Aug 20 19:42:31 2003 UTC (21 years, 8 months ago) by mmeineke
File length: 6344 byte(s)
Diff to previous 690

updated the Changelog.

added some bug fixes for setting the random number generator seed value.

fixed a bug where ghostbend atom b was not being set. ( recent bug from SimState conversion)

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

Revision 670 - (view) (annotate) - [select for diffs]
Modified Thu Aug 7 21:47:18 2003 UTC (21 years, 8 months ago) by mmeineke
File length: 6345 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 561 - (view) (annotate) - [select for diffs]
Modified Fri Jun 20 20:29:36 2003 UTC (21 years, 10 months ago) by mmeineke
File length: 4777 byte(s)
Diff to previous 413

Most of the integrator and NVT seem to be working now.

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

Revision 410 - (view) (annotate) - [select for diffs]
Modified Wed Mar 26 21:23:00 2003 UTC (22 years, 1 month ago) by gezelter
File length: 4347 byte(s)
Diff to previous 409

Fixes in Atom and Exclude list

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