Merging changes from old branch into development branch

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: 5460 byte(s)
Diff to previous 1528

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

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

Revision 1479 - (view) (annotate) - [select for diffs]
Modified Mon Jul 26 19:00:48 2010 UTC (14 years, 9 months ago) by gezelter
File length: 5531 byte(s)
Diff to previous 1465

Added EAM.  Still segfaults but compiles.

Creating busticated version of OpenMD

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/io/ForceFieldOptions.hpp
File length: 5356 byte(s)
Diff to previous 1390

Adding property set to svn entries

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

Revision 1293 - (view) (annotate) - [select for diffs]
Modified Sun Sep 14 01:32:26 2008 UTC (16 years, 7 months ago) by chuckv
Original Path: trunk/src/io/ForceFieldOptions.hpp
File length: 5313 byte(s)
Diff to previous 1287

Added large quantities of code for convex hull and constant pressure langevin dynamics.

more changes for 1-2, 1-3, 1-4 interactions plus some initialization-ordering
fixes to make gcc -Wall happier.

Revision 1150 - (view) (annotate) - [select for diffs]
Modified Fri Jul 6 18:14:35 2007 UTC (17 years, 9 months ago) by chuckv
Original Path: trunk/src/io/ForceFieldOptions.hpp
File length: 5111 byte(s)
Diff to previous 1050

Non-bonded interactions added.

refined the reaction field dielectric passing

Revision 981 - (view) (annotate) - [select for diffs]
Modified Mon Jun 5 18:24:45 2006 UTC (18 years, 10 months ago) by gezelter
Original Path: trunk/src/io/ForceFieldOptions.hpp
File length: 5096 byte(s)
Diff to previous 963

Massive changes for GB code with multiple ellipsoid types (a la
Cleaver's paper).

Also, changes in hydrodynamics code to make HydroProp a somewhat
smarter class (rather than just a struct).

Adding single precision capabilities to c++ side

Revision 838 - (view) (annotate) - [select for diffs]
Modified Mon Jan 9 19:11:52 2006 UTC (19 years, 3 months ago) by tim
Original Path: trunk/src/io/ForceFieldOptions.hpp
File length: 4906 byte(s)
Diff to previous 834

replace isType<int> with isInteger

More Sutton-Chen bug fixes.

Revision 822 - (view) (annotate) - [select for diffs]
Modified Wed Dec 28 21:44:06 2005 UTC (19 years, 4 months ago) by chuckv
Original Path: trunk/src/io/ForceFieldOptions.hpp
File length: 4695 byte(s)
Diff to previous 820

More changes to forcefield options.

Force option changes.

Revision 789 - (view) (annotate) - [select for diffs]
Modified Mon Dec 5 23:37:56 2005 UTC (19 years, 4 months ago) by tim
Original Path: trunk/src/io/ForceFieldOptions.hpp
File length: 4583 byte(s)
Diff to previous 788

Fix parsing error in OptionSectionParser

Adding handler for CLAY force field

Revision 765 - (view) (annotate) - [select for diffs]
Modified Mon Nov 21 22:59:36 2005 UTC (19 years, 5 months ago) by gezelter
Original Path: trunk/src/io/ForceFieldOptions.hpp
File length: 3009 byte(s)
Diff to previous 750

parsing by filepp

adding ForceFieldOptions