Fixes to deal with deprecation of MPI C++ bindings.  We've reverted back to the
C calls.

Revision 1938 - (view) (annotate) - [select for diffs]
Modified Thu Oct 31 15:32:17 2013 UTC (11 years, 6 months ago) by gezelter
File length: 6925 byte(s)
Diff to previous 1930 , to selected 1744

Some MPI include re-ordering to work with the Intel MPI implementation.

region fixes, performance boosts

Revision 1929 - (view) (annotate) - [select for diffs]
Modified Mon Aug 19 13:12:00 2013 UTC (11 years, 8 months ago) by gezelter
File length: 6921 byte(s)
Diff to previous 1895 , to selected 1744

Backing out fluc-rho and putting back the Electrostatic fluctuating
charge with coulomb integrals for atoms within a region.

Speed!

Revision 1879 - (view) (annotate) - [select for diffs]
Modified Sun Jun 16 15:15:42 2013 UTC (11 years, 10 months ago) by gezelter
File length: 6887 byte(s)
Diff to previous 1782 , to selected 1744

MERGE OpenMD development 1783:1878 into trunk

MERGE OpenMD development branch 1465:1781 into trunk

Revision 1761 - (view) (annotate) - [select for diffs]
Modified Fri Jun 22 20:01:37 2012 UTC (12 years, 10 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceDecomposition.cpp
File length: 6682 byte(s)
Diff to previous 1755 , to selected 1744

fixes for fluctuating charges

general bugfixes

Revision 1744 - (view) (annotate) - [selected]
Modified Tue Jun 5 18:07:08 2012 UTC (12 years, 10 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceDecomposition.cpp
File length: 6640 byte(s)
Diff to previous 1736

Fixes for minimization

Fixed fluctuating charge forces

Revision 1723 - (view) (annotate) - [select for diffs]
Modified Thu May 24 20:59:54 2012 UTC (12 years, 11 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceDecomposition.cpp
File length: 6345 byte(s)
Diff to previous 1665 , to selected 1744

Bug fixes for heat flux import

updated copyright notices

Revision 1629 - (view) (annotate) - [select for diffs]
Modified Wed Sep 14 21:15:17 2011 UTC (13 years, 7 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceDecomposition.cpp
File length: 5790 byte(s)
Diff to previous 1613 , to selected 1744

Merging changes from old branch into development branch

Fixed a parallel bug in computing exclude lists.
Added file versioning information in MD files.
Still tracking down cutoff group bugs.

Revision 1591 - (view) (annotate) - [select for diffs]
Modified Tue Jul 12 15:25:07 2011 UTC (13 years, 9 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceDecomposition.cpp
File length: 5802 byte(s)
Diff to previous 1587 , to selected 1744

Efficiency fix

Fixes

Revision 1586 - (view) (annotate) - [select for diffs]
Modified Tue Jun 21 06:34:35 2011 UTC (13 years, 10 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceDecomposition.cpp
File length: 5962 byte(s)
Diff to previous 1583 , to selected 1744

bug fixes

Bug squashing

Revision 1582 - (view) (annotate) - [select for diffs]
Modified Tue Jun 14 20:41:44 2011 UTC (13 years, 10 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceDecomposition.cpp
File length: 5747 byte(s)
Diff to previous 1581 , to selected 1744

Well, the potential energy values are still garbage, but the LJ sample
runs.

bug fixes

Revision 1579 - (view) (annotate) - [select for diffs]
Modified Thu Jun 9 20:26:29 2011 UTC (13 years, 10 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceDecomposition.cpp
File length: 5615 byte(s)
Diff to previous 1576 , to selected 1744

bug fixes (not done yet)

migrating cutoff information from InteractionManager to ForceManager

Revision 1575 - (view) (annotate) - [select for diffs]
Modified Fri Jun 3 21:39:49 2011 UTC (13 years, 10 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceDecomposition.cpp
File length: 5536 byte(s)
Diff to previous 1572 , to selected 1744

more parallel fixes

Forgot some headers and other files