[ViewVC] Log of: group/trunk/OOPSE_old/src/mdtools/libmdCode/SimInfo.cpp

Revision 375 - (view) (annotate) - [select for diffs]
Modified Fri Mar 21 15:07:14 2003 UTC (22 years, 1 month ago) by chuckv
File length: 1644 byte(s)
Diff to previous 370

more bug fixes...

Revision 370 - (view) (annotate) - [select for diffs]
Modified Thu Mar 20 17:10:43 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 1533 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 (22 years, 1 month ago) by chuckv
File length: 1456 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.

Revision 365 - (view) (annotate) - [select for diffs]
Modified Tue Mar 18 22:17:31 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 1377 byte(s)
Diff to previous 362

some initial bug fixes

Revision 362 - (view) (annotate) - [select for diffs]
Modified Tue Mar 18 21:25:45 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 1380 byte(s)
Diff to previous 348

shed implementation of the Fortran interfaces.

Revision 348 - (view) (annotate) - [select for diffs]
Modified Fri Mar 14 21:33:10 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 947 byte(s)
Diff to previous 294

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

Revision 294 - (view) (annotate) - [select for diffs]
Modified Thu Mar 6 17:04:09 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 1170 byte(s)
Diff to previous 290

finished conversion of all function wrapping into fortranWrappers.cpp and .hpp respectively

Revision 290 - (view) (annotate) - [select for diffs]
Modified Thu Feb 27 21:25:47 2003 UTC (22 years, 2 months ago) by chuckv
File length: 1437 byte(s)
Diff to previous 285

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 (22 years, 2 months ago) by mmeineke
File length: 846 byte(s)
Diff to previous 273

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.

Revision 273 - (view) (annotate) - [select for diffs]
Modified Mon Feb 17 18:03:06 2003 UTC (22 years, 2 months ago) by mmeineke
File length: 773 byte(s)
Diff to previous 270

added some checks for libmpich and got single processor to build in libmdCode

Revision 270 - (view) (annotate) - [select for diffs]
Added Fri Feb 14 17:08:46 2003 UTC (22 years, 2 months ago) by mmeineke
File length: 793 byte(s)

added libmdCode and a couple help scripts

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