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root/OpenMD/trunk/src/nonbonded/InteractionManager.cpp
Revision 2005 - (view) (annotate) - [select for diffs]
Modified Wed Jun 11 18:37:56 2014 UTC (10 years, 10 months ago) by gezelter
File length: 19963 byte(s)
Diff to previous 1935 
Fixed a strange non-bonded reporting bug.
Revision 1935 - (view) (annotate) - [select for diffs]
Modified Tue Sep 24 13:52:54 2013 UTC (11 years, 7 months ago) by gezelter
File length: 19963 byte(s)
Diff to previous 1929 
Fixed a bug in building the self Hash
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: 20022 byte(s)
Diff to previous 1927 
Backing out fluc-rho and putting back the Electrostatic fluctuating
charge with coulomb integrals for atoms within a region.
Revision 1927 - (view) (annotate) - [select for diffs]
Modified Wed Aug 14 20:19:19 2013 UTC (11 years, 8 months ago) by gezelter
File length: 20326 byte(s)
Diff to previous 1925 
FlucRho/EAM initial commit
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: 19263 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: 19261 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: 19227 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: 19092 byte(s)
Diff to previous 1879 
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: 17739 byte(s)
Diff to previous 1793 
MERGE OpenMD development 1783:1878 into trunk
Revision 1793 - (view) (annotate) - [select for diffs]
Modified Fri Aug 31 21:16:10 2012 UTC (12 years, 8 months ago) by gezelter
File length: 15242 byte(s)
Diff to previous 1782 
Cleaning up some warning messages on linux
Revision 1782 - (view) (annotate) - [select for diffs]
Modified Wed Aug 22 02:28:28 2012 UTC (12 years, 8 months ago) by gezelter
File length: 15275 byte(s)
Diff to previous 1755 
MERGE OpenMD development branch 1465:1781 into trunk
Revision 1755 - (view) (annotate) - [select for diffs]
Modified Thu Jun 14 01:58:35 2012 UTC (12 years, 10 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.cpp
File length: 15275 byte(s)
Diff to previous 1710 
general bugfixes
Revision 1710 - (view) (annotate) - [select for diffs]
Modified Fri May 18 21:44:02 2012 UTC (12 years, 11 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.cpp
File length: 15251 byte(s)
Diff to previous 1665 
Added an adapter layer between the AtomType and the rest of the code to 
handle the bolt-on capabilities of new types. 

Fixed a long-standing bug in how storageLayout was being set to the maximum
possible value.

Started to add infrastructure for Polarizable and fluc-Q calculations.
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/nonbonded/InteractionManager.cpp
File length: 15286 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.cpp
File length: 15220 byte(s)
Diff to previous 1587 
First few fixes for explicit interactions.
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/nonbonded/InteractionManager.cpp
File length: 14052 byte(s)
Diff to previous 1586 
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/nonbonded/InteractionManager.cpp
File length: 14210 byte(s)
Diff to previous 1584 
bug fixes
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.cpp
File length: 14181 byte(s)
Diff to previous 1583 
bug fixes.
Revision 1583 - (view) (annotate) - [select for diffs]
Modified Thu Jun 16 22:00:08 2011 UTC (13 years, 10 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.cpp
File length: 13914 byte(s)
Diff to previous 1576 
Bug squashing
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.cpp
File length: 13838 byte(s)
Diff to previous 1571 
migrating cutoff information from InteractionManager to ForceManager
Revision 1571 - (view) (annotate) - [select for diffs]
Modified Fri May 27 16:45:44 2011 UTC (13 years, 11 months ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.cpp
File length: 21120 byte(s)
Diff to previous 1568 
Added Atypes to new C++ force decomposition.
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.cpp
File length: 21138 byte(s)
Diff to previous 1554 
Added neighbor list check, and migrated skinThickness into
ForceDecomposition (and out of the InteractionManager).  Removed a
spurious inline.
Revision 1554 - (view) (annotate) - [select for diffs]
Modified Sat Apr 30 02:54:02 2011 UTC (14 years ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.cpp
File length: 22167 byte(s)
Diff to previous 1550 
For efficiency, pointers instead of objects will be passed during main
force loop.
Revision 1550 - (view) (annotate) - [select for diffs]
Modified Wed Apr 27 21:49:59 2011 UTC (14 years ago) by gezelter
Original Path: branches/development/src/nonbonded/InteractionManager.cpp
File length: 22137 byte(s)
Diff to previous 1545 
more fortran removal
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.cpp
File length: 22181 byte(s)
Diff to previous 1536 
still busted, but much progress
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.cpp
File length: 30042 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.cpp
File length: 30181 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.cpp
File length: 22816 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.cpp
File length: 21779 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.cpp
File length: 20091 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.cpp
File length: 19998 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.cpp
File length: 19383 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.cpp
File length: 18491 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.cpp
File length: 18529 byte(s) 
Many changes, and we're not quite done with this phase yet.

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