ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/OOPSE/libmdtools/ForceFields.hpp
Revision 1261 - (view) (annotate) - [select for diffs]
Modified Fri Jun 11 14:14:10 2004 UTC (20 years ago) by gezelter
File length: 4429 byte(s)
Diff to previous 1187 
Modified EAM to use forceFieldVariant
Revision 1187 - (view) (annotate) - [select for diffs]
Modified Sat May 22 18:16:18 2004 UTC (20 years, 1 month ago) by chrisfen
File length: 4221 byte(s)
Diff to previous 1180 
Fixed Thermodynamic integration code.
Revision 1180 - (view) (annotate) - [select for diffs]
Modified Thu May 20 20:24:07 2004 UTC (20 years, 1 month ago) by chrisfen
File length: 4255 byte(s)
Diff to previous 1097 
Several additions... Restraints.cpp and .hpp were included for restraining particles in thermodynamic integration.  By including these, changes were made in Integrator, SimInfo, ForceFeilds, SimSetup, StatWriter, and possibly some other files.  Two bass keywords were also added for performing thermodynamic integration: a lambda value one and a k power one.
Revision 1097 - (view) (annotate) - [select for diffs]
Modified Mon Apr 12 20:32:20 2004 UTC (20 years, 2 months ago) by gezelter
File length: 4114 byte(s)
Diff to previous 999 
Changes for RigidBody dynamics (Somewhat extensive)
Revision 999 - (view) (annotate) - [select for diffs]
Modified Fri Jan 30 15:01:09 2004 UTC (20 years, 5 months ago) by chrisfen
File length: 4073 byte(s)
Diff to previous 976 
Substantial changes. OOPSE now has a working WATER.cpp forcefield and parser.
This involved changes to WATER.cpp and ForceFields amoung other files. One important
note: a hardwiring of LJ_rcut was made in calc_LJ_FF.F90. This will be removed on
the next commit...
Revision 976 - (view) (annotate) - [select for diffs]
Modified Thu Jan 22 17:34:20 2004 UTC (20 years, 5 months ago) by chrisfen
File length: 4000 byte(s)
Diff to previous 836 
Corrected spelling in several directories, and stated WATER.cpp
Revision 836 - (view) (annotate) - [select for diffs]
Modified Tue Oct 28 22:25:46 2003 UTC (20 years, 8 months ago) by mmeineke
File length: 3446 byte(s)
Diff to previous 829 
did a complete overhaul of how c calls fortran. All function pointers and fortran calls are rigidly typecast now.
Revision 829 - (view) (annotate) - [select for diffs]
Modified Tue Oct 28 16:03:37 2003 UTC (20 years, 8 months ago) by gezelter
File length: 3464 byte(s)
Diff to previous 657 
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
Revision 657 - (view) (annotate) - [select for diffs]
Modified Wed Jul 30 21:17:01 2003 UTC (20 years, 11 months ago) by chuckv
File length: 3462 byte(s)
Diff to previous 559 
More bug fixes for eam.
Revision 559 - (view) (annotate) - [select for diffs]
Modified Thu Jun 19 22:02:44 2003 UTC (21 years ago) by mmeineke
File length: 3417 byte(s)
Diff to previous 500 
slowly converting to new integrator and forcefield names.
Revision 500 - (view) (annotate) - [select for diffs]
Modified Tue Apr 15 20:40:04 2003 UTC (21 years, 2 months ago) by chuckv
File length: 3440 byte(s)
Diff to previous 424 
Added eam force files...
Revision 424 - (view) (annotate) - [select for diffs]
Modified Thu Mar 27 20:36:16 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 2882 byte(s)
Diff to previous 420 
fixing some compile time bugs
Revision 420 - (view) (annotate) - [select for diffs]
Modified Thu Mar 27 17:32:03 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 3740 byte(s)
Diff to previous 378 
LJ_FF has been converted to the new Molecule model. TraPPE_Ex is currently being updated.
SimSetups routines are writtten, but not yet called.
Revision 378 - (view) (annotate) - [select for diffs]
Modified Fri Mar 21 17:42:12 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 2887 byte(s)
Copied from: branches/mmeineke/OOPSE/libmdtools/ForceFields.hpp revision 377
Diff to previous 377 
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.
Revision 377 - (view) (annotate) - [select for diffs]
Added Fri Mar 21 17:42:12 2003 UTC (21 years, 3 months ago) by mmeineke
Original Path: branches/mmeineke/OOPSE/libmdtools/ForceFields.hpp
File length: 2887 byte(s) 
New OOPSE Tree

Convenience Links

Links to HEAD: (view) (annotate)

Compare Revisions

This form allows you to request diffs between any two revisions of this file. For each of the two "sides" of the diff, enter a numeric revision.

  Diffs between and
  Type of Diff should be a