Revision 591 - (view) (annotate) - [select for diffs]
Modified Fri Jul 11 01:15:28 2003 UTC (21 years ago) by gezelter
File length: 15311 byte(s)
Diff to previous 590

Fixed hmat in DumpWriter (MPI) and eor.

fixed some bugs

Revision 586 - (view) (annotate) - [select for diffs]
Modified Wed Jul 9 22:14:06 2003 UTC (21 years ago) by mmeineke
File length: 15192 byte(s)
Diff to previous 572

Bug fixing NPTi and NPTf. there is some error in the caclulation of HmatInverse.

fixed the bugs introduced by switching the periodic box to a matrix

Revision 483 - (view) (annotate) - [select for diffs]
Modified Wed Apr 9 04:06:43 2003 UTC (21 years, 3 months ago) by gezelter
File length: 14198 byte(s)
Diff to previous 469

fixes for NPT and NVT

bug fixes

Revision 450 - (view) (annotate) - [select for diffs]
Modified Thu Apr 3 21:12:51 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 14207 byte(s)
Diff to previous 447

just little things like deleteing unused variables and such.

fixed some small things with simError.h

Revision 440 - (view) (annotate) - [select for diffs]
Modified Tue Apr 1 16:49:17 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 14296 byte(s)
Diff to previous 437

Fixed DumpWriter to be more robust to errors. also added a little namespace to InitFromFile to wrap it's helper functions in MPI

bug fix in DumpWriter.cpp

Revision 436 - (view) (annotate) - [select for diffs]
Modified Fri Mar 28 21:45:03 2003 UTC (21 years, 3 months ago) by chuckv
File length: 13369 byte(s)
Diff to previous 434

Bug fixes in read-write routines.

mpi fixes and debugging mpi read write from file.

Revision 419 - (view) (annotate) - [select for diffs]
Modified Thu Mar 27 15:07:29 2003 UTC (21 years, 3 months ago) by gezelter
File length: 12329 byte(s)
Diff to previous 417

fixes for local->global atom numbering in MPI

Fixes to fileio for MPI

Revision 416 - (view) (annotate) - [select for diffs]
Modified Wed Mar 26 23:14:02 2003 UTC (21 years, 3 months ago) by gezelter
File length: 10743 byte(s)
Diff to previous 415

bug fixes   many bug fixes

Making DumpWriter less dependent on sequence of atoms on the other
processors.  Node 0 now fires potatoes at other processors to get them
to send french fries back.

Revision 378 - (view) (annotate) - [select for diffs]
Modified Fri Mar 21 17:42:12 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 11992 byte(s)
Copied from: branches/mmeineke/OOPSE/libmdtools/DumpWriter.cpp revision 377
Diff to previous 377

This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.

New OOPSE Tree