*** empty log message ***

Revision 368 - (view) (annotate) - [select for diffs]
Modified Thu Mar 20 00:02:39 2003 UTC (21 years, 4 months ago) by chuckv
File length: 9757 byte(s)
Diff to previous 367

Fixed bugs. Single version now runs w/o segfault. Still a conservation of energy bug.
do_Forces.F90: Fixed pot not being passed to do_pair.
neighborLists.F90: Fixed bugs in checkNeighborLists
atype_module.F90: Fixed bug with allocating atypes on each new_atype call.Now checks to see if atypes is null, then calles initialize(16).
vector_class.F90: Fixed some bugs with how MatchList was being allocated.

*** empty log message ***

Revision 361 - (view) (annotate) - [select for diffs]
Modified Tue Mar 18 19:09:12 2003 UTC (21 years, 4 months ago) by gezelter
File length: 9734 byte(s)
Diff to previous 360

getNlocal no longer in force_globals

brought force_globals back from the dead to fix circular references

Revision 358 - (view) (annotate) - [select for diffs]
Modified Mon Mar 17 21:07:50 2003 UTC (21 years, 4 months ago) by gezelter
File length: 14086 byte(s)
Diff to previous 332

bug fixes for new fForceField.h

initialization routines, bug fixes, exclude lists

Revision 330 - (view) (annotate) - [select for diffs]
Modified Wed Mar 12 23:15:46 2003 UTC (21 years, 4 months ago) by gezelter
File length: 13406 byte(s)
Diff to previous 329

forceGlobals is gone (part3)

Stick a fork in it.  It's rare.

Revision 328 - (view) (annotate) - [select for diffs]
Modified Wed Mar 12 20:00:58 2003 UTC (21 years, 4 months ago) by gezelter
File length: 11743 byte(s)
Diff to previous 325

bye bye atypeGlobals (part2)

Massive rewrite

Revision 312 - (view) (annotate) - [select for diffs]
Modified Tue Mar 11 17:46:18 2003 UTC (21 years, 4 months ago) by gezelter
File length: 3890 byte(s)
Diff to previous 309

Bunch o' stuff, particularly the vector_class.F90 module

Massive rewrite underway.  This way be dragons.

Revision 295 - (view) (annotate) - [select for diffs]
Modified Thu Mar 6 19:57:03 2003 UTC (21 years, 4 months ago) by chuckv
File length: 3486 byte(s)
Diff to previous 290

Split force loop into subroutines. Moved wrap out of simulation module.

Made changes to lj_FF.cpp to pass stress tensor.

Revision 285 - (view) (annotate) - [select for diffs]
Modified Wed Feb 26 18:45:57 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 5505 byte(s)
Diff to previous 270

OOPSE has been braought up to date with the mdtools devfelopment tree. mdtools should no longer be used. All development should take place in the OOPSE tree.

added libmdCode and a couple help scripts