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: 7256 byte(s)
Diff to previous 1782 , to selected 1627

MERGE OpenMD development 1783:1878 into trunk

MERGE OpenMD development branch 1465:1781 into trunk

Revision 1725 - (view) (annotate) - [select for diffs]
Modified Sat May 26 18:13:43 2012 UTC (12 years, 11 months ago) by gezelter
Original Path: branches/development/src/brains/ForceField.hpp
File length: 7272 byte(s)
Copied from: branches/development/src/UseTheForce/ForceField.hpp revision 1724
Diff to previous 1665 , to selected 1627

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.  

updated copyright notices

Revision 1627 - (view) (annotate) - [selected]
Modified Tue Sep 13 22:05:04 2011 UTC (13 years, 7 months ago) by gezelter
Original Path: branches/development/src/UseTheForce/ForceField.hpp
File length: 7211 byte(s)
Diff to previous 1535

Splitting out ifstrstream into a header and an implementation.  This
means that much of the code that depends on it can be compiled only
once and the parallel I/O is concentrated into a few files.  To do
this, a number of files that relied on basic_ifstrstream to load the
mpi header had to be modified to manage their own headers.

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

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.hpp
File length: 7172 byte(s)
Diff to previous 1476 , to selected 1627

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

fixed some destructor bugs dealing with the TypeContainers

Revision 1467 - (view) (annotate) - [select for diffs]
Modified Sat Jul 17 15:33:03 2010 UTC (14 years, 9 months ago) by gezelter
Original Path: branches/development/src/UseTheForce/ForceField.hpp
File length: 7207 byte(s)
Diff to previous 1465 , to selected 1627

well, it compiles, but still segfaults

Creating busticated version of OpenMD

Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (15 years ago) by gezelter
Original Path: trunk/src/UseTheForce/ForceField.hpp
File length: 7007 byte(s)
Diff to previous 1390 , to selected 1627

Adding property set to svn entries

Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)

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.hpp
File length: 6964 byte(s)
Diff to previous 1275 , to selected 1627

Many fixes

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.hpp
File length: 6221 byte(s)
Diff to previous 1151 , to selected 1627

Adding infrastructure for Amber force field.

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.hpp
File length: 5596 byte(s)
Diff to previous 821 , to selected 1627

Adding single precision capabilities to c++ side

Force options passed to fortran.

Revision 762 - (view) (annotate) - [select for diffs]
Modified Mon Nov 21 22:59:02 2005 UTC (19 years, 5 months ago) by gezelter
Original Path: trunk/src/UseTheForce/ForceField.hpp
File length: 5516 byte(s)
Diff to previous 749 , to selected 1627

Cutoff mixing fixes have been made.

OptionSectionParser get compiled

Revision 514 - (view) (annotate) - [select for diffs]
Modified Thu Apr 21 14:12:19 2005 UTC (20 years ago) by chrisfen
Original Path: trunk/src/UseTheForce/ForceField.hpp
File length: 5409 byte(s)
Diff to previous 507 , to selected 1627

Shapes is limping along with a array bounds overwrite (I think...). At least the parser loads the forcefield fine...

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, 1 month ago) by tim
Original Path: trunk/src/UseTheForce/ForceField.hpp
File length: 5597 byte(s)
Diff to previous 246 , to selected 1627

destory atom type in fortran side

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, 6 months ago) by gezelter
Original Path: trunk/src/UseTheForce/ForceField.hpp
File length: 1447 byte(s)
Diff to selected 1627

added new classes in progress