Some performance improvements

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: 8171 byte(s)
Diff to previous 1782

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.hpp
File length: 8129 byte(s)
Diff to previous 1760

fixes for fluctuating charges

Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData

Revision 1756 - (view) (annotate) - [select for diffs]
Modified Mon Jun 18 18:23:20 2012 UTC (12 years, 10 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceDecomposition.hpp
File length: 7818 byte(s)
Diff to previous 1723

bugfixes for self interactions (particularly in parallel)

Bug fixes for heat flux import

Revision 1665 - (view) (annotate) - [select for diffs]
Modified Tue Nov 22 20:38:56 2011 UTC (13 years, 5 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceDecomposition.hpp
File length: 7527 byte(s)
Diff to previous 1591

updated copyright notices

Efficiency fix

Revision 1587 - (view) (annotate) - [select for diffs]
Modified Fri Jul 8 20:25:32 2011 UTC (13 years, 9 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceDecomposition.hpp
File length: 7426 byte(s)
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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.hpp
File length: 7321 byte(s)
Diff to previous 1581

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.hpp
File length: 7252 byte(s)
Diff to previous 1576

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.hpp
File length: 7373 byte(s)
Diff to previous 1571

more parallel fixes

Added Atypes to new C++ force decomposition.

Revision 1570 - (view) (annotate) - [select for diffs]
Modified Thu May 26 21:56:04 2011 UTC (13 years, 11 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceDecomposition.hpp
File length: 7130 byte(s)
Diff to previous 1569

More fixes

A few more fixes for the missing routines

Revision 1568 - (view) (annotate) - [select for diffs]
Modified Wed May 25 16:20:37 2011 UTC (13 years, 11 months ago) by gezelter
Original Path: branches/development/src/parallel/ForceDecomposition.hpp
File length: 7082 byte(s)
Diff to previous 1562

Added neighbor list check, and migrated skinThickness into
ForceDecomposition (and out of the InteractionManager).  Removed a
spurious inline.

changes for cell linked lists

Revision 1549 - (view) (annotate) - [select for diffs]
Modified Wed Apr 27 18:38:15 2011 UTC (14 years ago) by gezelter
Original Path: branches/development/src/parallel/ForceDecomposition.hpp
File length: 6775 byte(s)
Copied from: branches/development/src/parallel/Decomposition.hpp revision 1547
Diff to previous 1546

a few more tweaks   We're getting somewhat closer to deleting fortran.

closer to a real force loop

Revision 1545 - (view) (annotate) - [select for diffs]
Modified Fri Apr 8 21:25:19 2011 UTC (14 years ago) by gezelter
Original Path: branches/development/src/parallel/Decomposition.hpp
File length: 6696 byte(s)
Diff to previous 1544

still busted, but much progress

More modifications for paralllel rewrite

Revision 1539 - (view) (annotate) - [select for diffs]
Added Fri Jan 14 22:31:31 2011 UTC (14 years, 3 months ago) by gezelter
Original Path: branches/development/src/parallel/Decomposition.hpp
File length: 4319 byte(s)

Starting a Parallel architecture