[ViewVC] Log of: OpenMD/trunk/src/nonbonded/InteractionManager.hpp

Revision 1925 - (view) (annotate) - [select for diffs]
Modified Wed Aug 7 15:24:16 2013 UTC (11 years, 8 months ago) by gezelter
File length: 4560 byte(s)
Diff to previous 1921

More ewald fixes, reporting reciprocal potential in stats.

Revision 1921 - (view) (annotate) - [select for diffs]
Modified Thu Aug 1 18:23:07 2013 UTC (11 years, 9 months ago) by gezelter
File length: 4553 byte(s)
Diff to previous 1915

Fixed a few DumpWriter / FlucQ bugs.  Still working on Ewald, updated 
Quadrupolar test structures.

Revision 1915 - (view) (annotate) - [select for diffs]
Modified Mon Jul 29 17:55:17 2013 UTC (11 years, 9 months ago) by gezelter
File length: 4542 byte(s)
Diff to previous 1895

Added Legendre Correlation function (as a function of Z), working on architecture for Ewald
Fixed some bugs in FlucQ

Revision 1895 - (view) (annotate) - [select for diffs]
Modified Mon Jul 1 21:09:37 2013 UTC (11 years, 10 months ago) by gezelter
File length: 4509 byte(s)
Diff to previous 1879

Speed!

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Modified Sun Jun 16 15:15:42 2013 UTC (11 years, 10 months ago) by gezelter
File length: 4523 byte(s)
Diff to previous 1782

MERGE OpenMD development 1783:1878 into trunk

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Modified Wed Aug 22 02:28:28 2012 UTC (12 years, 8 months ago) by gezelter
File length: 4047 byte(s)
Diff to previous 1665

MERGE OpenMD development branch 1465:1781 into trunk

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Modified Tue Nov 22 20:38:56 2011 UTC (13 years, 5 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.hpp
File length: 4047 byte(s)
Diff to previous 1656

updated copyright notices

Revision 1656 - (view) (annotate) - [select for diffs]
Modified Tue Oct 11 19:46:51 2011 UTC (13 years, 6 months ago) by jmichalk
Original Path: branches/development/src/nonbonded/InteractionManager.hpp
File length: 3981 byte(s)
Diff to previous 1584

First few fixes for explicit interactions.

Revision 1584 - (view) (annotate) - [select for diffs]
Modified Fri Jun 17 20:16:35 2011 UTC (13 years, 10 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.hpp
File length: 3904 byte(s)
Diff to previous 1579

bug fixes.

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Modified Thu Jun 9 20:26:29 2011 UTC (13 years, 10 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.hpp
File length: 3816 byte(s)
Diff to previous 1576

bug fixes (not done yet)

Revision 1576 - (view) (annotate) - [select for diffs]
Modified Wed Jun 8 16:05:07 2011 UTC (13 years, 10 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.hpp
File length: 3817 byte(s)
Diff to previous 1568

migrating cutoff information from InteractionManager to ForceManager

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/nonbonded/InteractionManager.hpp
File length: 4993 byte(s)
Diff to previous 1545

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

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/nonbonded/InteractionManager.hpp
File length: 5191 byte(s)
Diff to previous 1537

still busted, but much progress

Revision 1537 - (view) (annotate) - [select for diffs]
Modified Thu Jan 6 17:42:20 2011 UTC (14 years, 3 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.hpp
File length: 5953 byte(s)
Diff to previous 1536

forgot one method

Revision 1536 - (view) (annotate) - [select for diffs]
Modified Wed Jan 5 14:49:05 2011 UTC (14 years, 3 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.hpp
File length: 5914 byte(s)
Diff to previous 1535

compiles, builds and runs, but is very slow

Revision 1535 - (view) (annotate) - [select for diffs]
Modified Fri Dec 31 18:31:56 2010 UTC (14 years, 4 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.hpp
File length: 5993 byte(s)
Diff to previous 1532

Well, it compiles and builds, but still has a bus error at runtime.

Revision 1532 - (view) (annotate) - [select for diffs]
Modified Wed Dec 29 19:59:21 2010 UTC (14 years, 4 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.hpp
File length: 5645 byte(s)
Diff to previous 1530

Added MAW to the C++ side, removed a whole bunch more fortran.

Revision 1530 - (view) (annotate) - [select for diffs]
Modified Tue Dec 28 21:47:55 2010 UTC (14 years, 4 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.hpp
File length: 5594 byte(s)
Diff to previous 1529

Moved switching functions and force options over to the C++ side, and
removed them from Fortran.

Revision 1529 - (view) (annotate) - [select for diffs]
Modified Mon Dec 27 18:35:59 2010 UTC (14 years, 4 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.hpp
File length: 5247 byte(s)
Diff to previous 1528

fixes

Revision 1528 - (view) (annotate) - [select for diffs]
Modified Fri Dec 17 20:11:05 2010 UTC (14 years, 4 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.hpp
File length: 5160 byte(s)
Diff to previous 1505

Doesn't build yet, but getting much closer...

Revision 1505 - (view) (annotate) - [select for diffs]
Modified Sun Oct 3 22:18:59 2010 UTC (14 years, 6 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.hpp
File length: 4930 byte(s)
Diff to previous 1504

Less busted than it was on last check-in, but still won't completely
build.

Revision 1504 - (view) (annotate) - [select for diffs]
Modified Sat Oct 2 20:41:53 2010 UTC (14 years, 7 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.hpp
File length: 4913 byte(s)
Diff to previous 1502

The C++ side now compiles.  Moving on to doForces

Revision 1502 - (view) (annotate) - [select for diffs]
Added Sat Oct 2 19:53:32 2010 UTC (14 years, 7 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.hpp
File length: 6340 byte(s)

Many changes, and we're not quite done with this phase yet.

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