[ViewVC] Log of: group/trunk/OOPSE/ChangeLog

Revision 1046 - (view) (annotate) - [select for diffs]
Modified Tue Feb 10 21:33:44 2004 UTC (21 years, 2 months ago) by tim
File length: 86746 byte(s)
Diff to previous 1035

single version of energy minimization is working.

Revision 1035 - (view) (annotate) - [select for diffs]
Modified Fri Feb 6 21:37:59 2004 UTC (21 years, 3 months ago) by tim
File length: 86328 byte(s)
Diff to previous 1031

Single version of energy minimization for argon is working, need to add constraint

Revision 1031 - (view) (annotate) - [select for diffs]
Modified Fri Feb 6 18:58:06 2004 UTC (21 years, 3 months ago) by tim
File length: 85523 byte(s)
Diff to previous 1005

Add some lines into global.cpp to make it work with energy minimization

Revision 1005 - (view) (annotate) - [select for diffs]
Modified Tue Feb 3 15:21:32 2004 UTC (21 years, 3 months ago) by tim
File length: 84002 byte(s)
Diff to previous 927

begin unit test of minimizer

Revision 927 - (view) (annotate) - [select for diffs]
Modified Mon Jan 12 22:54:42 2004 UTC (21 years, 3 months ago) by tim
File length: 78423 byte(s)
Diff to previous 926

fix a bug in copying string

Revision 926 - (view) (annotate) - [select for diffs]
Modified Mon Jan 12 20:37:59 2004 UTC (21 years, 3 months ago) by tim
File length: 78254 byte(s)
Diff to previous 920

Dumpwriter only write out the atoms on master nodes

Revision 920 - (view) (annotate) - [select for diffs]
Modified Sat Jan 10 09:46:47 2004 UTC (21 years, 3 months ago) by tim
File length: 78036 byte(s)
Diff to previous 894

tagub is not a bug. Just roll it back
fix a bug of copying string to a pointer
Still have Seg fault, it looks like a random MPI seg fault in totalview

Revision 894 - (view) (annotate) - [select for diffs]
Modified Mon Jan 5 21:00:05 2004 UTC (21 years, 4 months ago) by chuckv
File length: 72865 byte(s)
Diff to previous 837

Added bitmask to do_forces property lookup

Revision 837 - (view) (annotate) - [select for diffs]
Modified Wed Oct 29 00:19:10 2003 UTC (21 years, 6 months ago) by tim
File length: 64332 byte(s)
Diff to previous 760

add chi and eta to the comment line of dump file.

Revision 760 - (view) (annotate) - [select for diffs]
Modified Fri Sep 12 16:20:05 2003 UTC (21 years, 7 months ago) by gezelter
File length: 54458 byte(s)
Diff to previous 754

Entered changes for configure into ChangeLog

Revision 754 - (view) (annotate) - [select for diffs]
Modified Tue Sep 9 20:34:42 2003 UTC (21 years, 7 months ago) by mmeineke
File length: 51330 byte(s)
Diff to previous 736

updated the ChangeLog

Revision 736 - (view) (annotate) - [select for diffs]
Modified Thu Aug 28 21:09:47 2003 UTC (21 years, 8 months ago) by tim
File length: 50322 byte(s)
Diff to previous 727

Added: check uniqueness of molIndex

Revision 727 - (view) (annotate) - [select for diffs]
Modified Wed Aug 27 16:16:01 2003 UTC (21 years, 8 months ago) by tim
File length: 49613 byte(s)
Diff to previous 705

fix bug in calc_dipole_dipole.F90 and calc_stikcy_pair.F90
molMembershipList use global index instead of local index

Revision 705 - (view) (annotate) - [select for diffs]
Modified Wed Aug 20 19:41:04 2003 UTC (21 years, 8 months ago) by mmeineke
File length: 46615 byte(s)
Diff to previous 660

updated the Changelog.

Revision 660 - (view) (annotate) - [select for diffs]
Modified Thu Jul 31 19:59:34 2003 UTC (21 years, 9 months ago) by tim
File length: 40687 byte(s)
Diff to previous 568

add index range checking into ZConstraint

Revision 568 - (view) (annotate) - [select for diffs]
Modified Mon Jun 30 22:04:01 2003 UTC (21 years, 10 months ago) by mmeineke
File length: 29306 byte(s)
Diff to previous 385

Updated the ChangeLog, and Converted most of the SImInfo to use non-Isotropic
boxes. wrapVector needs to be finished.

Revision 385 - (view) (annotate) - [select for diffs]
Modified Fri Mar 21 20:37:58 2003 UTC (22 years, 1 month ago) by gezelter
File length: 6548 byte(s)
Diff to previous 378

Makefile fixes, directory re-org, autoconf fixes

Revision 378 - (view) (annotate) - [select for diffs]
Modified Fri Mar 21 17:42:12 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 165 byte(s)
Copied from: branches/mmeineke/OOPSE/ChangeLog 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.

Revision 377 - (view) (annotate) - [select for diffs]
Added Fri Mar 21 17:42:12 2003 UTC (22 years, 1 month ago) by mmeineke
Original Path: branches/mmeineke/OOPSE/ChangeLog
File length: 165 byte(s)

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