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: 26871 byte(s)
Diff to previous 365

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.

some initial bug fixes

Revision 363 - (view) (annotate) - [select for diffs]
Modified Tue Mar 18 21:27:53 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 26720 byte(s)
Diff to previous 362

 last little changes before compiling and debuging

shed implementation of the Fortran interfaces.

Revision 348 - (view) (annotate) - [select for diffs]
Modified Fri Mar 14 21:33:10 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 24468 byte(s)
Diff to previous 311

mostly compiles. interface twixt c and fortran is broken. (c needs to be brought up to date with fortran.)

finished adding the ghostBend into the TraPPE_Ex force Field

Revision 308 - (view) (annotate) - [select for diffs]
Modified Mon Mar 10 21:44:31 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 24430 byte(s)
Diff to previous 290

Added ghostBend into SimSetup. only need to add awareness to TraPPE_Ex

Made changes to lj_FF.cpp to pass stress tensor.

Revision 271 - (view) (annotate) - [select for diffs]
Modified Fri Feb 14 21:53:47 2003 UTC (21 years, 5 months ago) by mmeineke
File length: 22828 byte(s)
Diff to previous 270

working on getting this distribution working

added libmdCode and a couple help scripts