[ViewVC] Log of: OpenMD/branches/development/src/UseTheForce/ForceField.cpp

Revision 1665 - (view) (annotate) - [select for diffs]
Modified Tue Nov 22 20:38:56 2011 UTC (13 years, 5 months ago) by gezelter
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
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
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
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
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
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
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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