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root/OpenMD/branches/development/src/brains/ForceField.cpp
Revision 1808 - (view) (annotate) - [select for diffs]
Modified Mon Oct 22 20:42:10 2012 UTC (12 years, 6 months ago) by gezelter
File length: 25718 byte(s)
Diff to previous 1725 
A bug fix in the electric field for the new electrostatic code.  Also comment fixes for Doxygen
Revision 1725 - (view) (annotate) - [select for diffs]
Modified Sat May 26 18:13:43 2012 UTC (12 years, 11 months ago) by gezelter
File length: 25735 byte(s)
Copied from: branches/development/src/UseTheForce/ForceField.cpp revision 1724
Diff to previous 1710 
Individual ForceField classes have been removed (they were essentially
all duplicates anyway).  

ForceField has moved to brains, and since only one force field is in
play at any time, the ForceFieldFactory and Register methods have been
removed.
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/UseTheForce/ForceField.cpp
File length: 20941 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/UseTheForce/ForceField.cpp
File length: 21521 byte(s)
Diff to previous 1629 
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/UseTheForce/ForceField.cpp
File length: 21455 byte(s)
Diff to previous 1535 
Merging changes from old branch into development branch
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/UseTheForce/ForceField.cpp
File length: 19738 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/UseTheForce/ForceField.cpp
File length: 19179 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/UseTheForce/ForceField.cpp
File length: 19285 byte(s)
Diff to previous 1473 
Moved switching functions and force options over to the C++ side, and
removed them from Fortran.
Revision 1473 - (view) (annotate) - [select for diffs]
Modified Tue Jul 20 15:43:00 2010 UTC (14 years, 9 months ago) by gezelter
Original Path: branches/development/src/UseTheForce/ForceField.cpp
File length: 19616 byte(s)
Diff to previous 1465 
fixing c/fortran bugs
Revision 1465 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 23:08:25 2010 UTC (14 years, 9 months ago) by chuckv
Original Path: branches/development/src/UseTheForce/ForceField.cpp
File length: 19613 byte(s)
Diff to previous 1460 
Creating busticated version of OpenMD
Revision 1460 - (view) (annotate) - [select for diffs]
Modified Wed Jul 7 15:04:32 2010 UTC (14 years, 9 months ago) by gezelter
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 19613 byte(s)
Diff to previous 1442 
changed ORNULL
Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 19549 byte(s)
Diff to previous 1390 
Adding property set to svn entries
Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 19608 byte(s)
Diff to previous 1303 
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
Revision 1303 - (view) (annotate) - [select for diffs]
Modified Mon Oct 13 21:35:22 2008 UTC (16 years, 6 months ago) by cli2
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 19562 byte(s)
Diff to previous 1289 
Fixes for Inversions for use with Amber
Revision 1289 - (view) (annotate) - [select for diffs]
Modified Wed Sep 10 19:40:06 2008 UTC (16 years, 7 months ago) by cli2
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 19478 byte(s)
Diff to previous 1282 
Fixes for Torsions and Inversions, Amber is mostly working now.
Revision 1282 - (view) (annotate) - [select for diffs]
Modified Wed Jul 30 18:11:19 2008 UTC (16 years, 9 months ago) by gezelter
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 20258 byte(s)
Diff to previous 1277 
Many fixes
Revision 1277 - (view) (annotate) - [select for diffs]
Modified Mon Jul 14 12:35:58 2008 UTC (16 years, 9 months ago) by gezelter
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 20064 byte(s)
Diff to previous 1275 
Changes for implementing Amber force field:  Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.
Revision 1275 - (view) (annotate) - [select for diffs]
Modified Fri Jul 4 20:54:29 2008 UTC (16 years, 9 months ago) by cli2
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 19780 byte(s)
Diff to previous 1269 
Changes required for Inversions and Base Atom types.  This will
break OOPSE badly for a few days or so...
Revision 1269 - (view) (annotate) - [select for diffs]
Modified Tue Jul 1 13:28:23 2008 UTC (16 years, 10 months ago) by gezelter
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 15758 byte(s)
Diff to previous 1195 
Adding infrastructure for Amber force field.
Revision 1195 - (view) (annotate) - [select for diffs]
Modified Thu Dec 6 20:04:02 2007 UTC (17 years, 4 months ago) by cpuglis
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 9648 byte(s)
Diff to previous 1151 
Many fixes for Charmm-type torsions.
Revision 1151 - (view) (annotate) - [select for diffs]
Modified Fri Jul 6 18:15:03 2007 UTC (17 years, 9 months ago) by chuckv
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 9497 byte(s)
Diff to previous 963 
Changes to allow for non-bonded interactions.
Revision 963 - (view) (annotate) - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (18 years, 11 months ago) by tim
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 8422 byte(s)
Diff to previous 939 
Adding single precision capabilities to c++ side
Revision 939 - (view) (annotate) - [select for diffs]
Modified Thu Apr 20 18:24:24 2006 UTC (19 years ago) by gezelter
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 8418 byte(s)
Diff to previous 821 
Complete rewrite of spline code and everything that uses it.
Revision 821 - (view) (annotate) - [select for diffs]
Modified Wed Dec 28 21:42:43 2005 UTC (19 years, 4 months ago) by chuckv
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 8343 byte(s)
Diff to previous 507 
Force options passed to fortran.
Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 8090 byte(s)
Diff to previous 475 
xemacs has been drafted to perform our indentation services
Revision 475 - (view) (annotate) - [select for diffs]
Modified Tue Apr 12 18:30:37 2005 UTC (20 years ago) by tim
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 8524 byte(s)
Diff to previous 246 
destory atom type in fortran side
Revision 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 3 months ago) by gezelter
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 8422 byte(s)
Diff to previous 206 
merging new_design branch into OOPSE-2.0
Revision 206 - (view) (annotate) - [select for diffs]
Added Thu Nov 4 20:51:23 2004 UTC (20 years, 5 months ago) by gezelter
Original Path: trunk/src/UseTheForce/ForceField.cpp
File length: 2429 byte(s) 
added new classes in progress

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