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: 16075 byte(s)
Diff to previous 447

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

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: 13318 byte(s)
Diff to previous 436

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

Bug fixes in read-write routines.

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: 12083 byte(s)
Diff to previous 417

fixes for local->global atom numbering in MPI

Fixes to fileio for MPI

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: 13341 byte(s)
Copied from: branches/mmeineke/OOPSE/libmdtools/InitializeFromFile.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