[ViewVC] Log of: group/trunk/OOPSE_old/src/mdtools/libmdCode/Atom.hpp

Revision 370 - (view) (annotate) - [select for diffs]
Modified Thu Mar 20 17:10:43 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 8651 byte(s)
Diff to previous 368

*** 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: 8655 byte(s)
Diff to previous 348

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.

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: 8710 byte(s)
Diff to previous 299

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

Revision 299 - (view) (annotate) - [select for diffs]
Modified Fri Mar 7 19:31:02 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 8643 byte(s)
Diff to previous 296

implemented the new fortran force interface

Revision 296 - (view) (annotate) - [select for diffs]
Modified Thu Mar 6 20:05:39 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 8496 byte(s)
Diff to previous 270

dded more static arrays to the Atom class;

Revision 270 - (view) (annotate) - [select for diffs]
Added Fri Feb 14 17:08:46 2003 UTC (21 years, 5 months ago) by mmeineke
File length: 7446 byte(s)

added libmdCode and a couple help scripts

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