ViewVC Help
View Directory | Revision Log | View Changeset | Root Listing
root/group/trunk/OOPSE/forceFields
Revision 1328 - Directory Listing - [select for diffs]
Modified Thu Jul 15 19:37:49 2004 UTC (21 years, 2 months ago) by chrisfen
Diff to previous 1265 
Added the SPC water model
Revision 1265 - Directory Listing - [select for diffs]
Modified Fri Jun 11 16:46:00 2004 UTC (21 years, 3 months ago) by gezelter
Diff to previous 1264 
Converted D's to E's in the funcfl files so that C can read them.
Revision 1264 - Directory Listing - [select for diffs]
Modified Fri Jun 11 16:35:10 2004 UTC (21 years, 3 months ago) by gezelter
Diff to previous 1263 
changing file extensions to be more in line with what's actually
in the file
Revision 1263 - Directory Listing - [select for diffs]
Modified Fri Jun 11 15:31:24 2004 UTC (21 years, 3 months ago) by gezelter
Diff to previous 1259 
Added a bunch of files for EAM variants
Revision 1259 - Directory Listing - [select for diffs]
Modified Thu Jun 10 22:15:47 2004 UTC (21 years, 3 months ago) by gezelter
Diff to previous 1246 
reorg of EAM force fields to have variants
Revision 1246 - Directory Listing - [select for diffs]
Modified Fri Jun 4 16:23:52 2004 UTC (21 years, 3 months ago) by gezelter
Diff to previous 1245 
Moved to SHAPES
Revision 1245 - Directory Listing - [select for diffs]
Modified Fri Jun 4 16:23:14 2004 UTC (21 years, 3 months ago) by gezelter
Diff to previous 1182 
*** empty log message ***
Revision 1182 - Directory Listing - [select for diffs]
Modified Fri May 21 14:23:20 2004 UTC (21 years, 4 months ago) by gezelter
Diff to previous 1113 
Changes for SHAPES potential
Revision 1113 - Directory Listing - [select for diffs]
Modified Thu Apr 15 16:18:26 2004 UTC (21 years, 5 months ago) by tim
Diff to previous 1110 
fix whole bunch of bugs :-)
Revision 1110 - Directory Listing - [select for diffs]
Modified Wed Apr 14 17:20:18 2004 UTC (21 years, 5 months ago) by chrisfen
Diff to previous 999 
Added the WATER.frc force field
Revision 999 - Directory Listing - [select for diffs]
Modified Fri Jan 30 15:01:09 2004 UTC (21 years, 7 months ago) by chrisfen
Diff to previous 963 
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 963 - Directory Listing - [select for diffs]
Modified Mon Jan 19 18:51:39 2004 UTC (21 years, 8 months ago) by chrisfen
Diff to previous 875 
Updated the default water to SSD/E
Revision 875 - Directory Listing - [select for diffs]
Modified Tue Nov 25 15:44:32 2003 UTC (21 years, 10 months ago) by mmeineke
Diff to previous 813 
backed up the old DUFF.frc to backup.DUFF.frc alte4red masses and epsilons of TB2 and TB3 in DUFF.frc
Revision 813 - Directory Listing - [select for diffs]
Modified Thu Oct 23 19:57:04 2003 UTC (21 years, 11 months ago) by mmeineke
Diff to previous 747 
added eam ForceField files to the init
Revision 747 - Directory Listing - [select for diffs]
Modified Fri Sep 5 21:28:52 2003 UTC (22 years ago) by gezelter
Diff to previous 688 
Changes to autoconf / configure method of configuring OOPSE
Revision 688 - Directory Listing - [select for diffs]
Modified Tue Aug 12 18:40:31 2003 UTC (22 years, 1 month ago) by gezelter
Diff to previous 687 
formatting fixes and new atypes in LJFF
Revision 687 - Directory Listing - [select for diffs]
Modified Tue Aug 12 18:15:06 2003 UTC (22 years, 1 month ago) by gezelter
Diff to previous 635 
fixed a few references to older stuff...
Revision 635 - Directory Listing - [select for diffs]
Modified Thu Jul 17 20:32:24 2003 UTC (22 years, 2 months ago) by gezelter
Diff to previous 595 
Changes for SSD/E
Revision 595 - Directory Listing - [select for diffs]
Modified Mon Jul 14 14:55:34 2003 UTC (22 years, 2 months ago) by mmeineke
Diff to previous 566 
Switched the bond in the force field back to constrained, to preserve energy
Revision 566 - Directory Listing - [select for diffs]
Modified Wed Jun 25 21:11:42 2003 UTC (22 years, 3 months ago) by mmeineke
Diff to previous 564 
Changed over the bonds to Harmonic bonds in the DUFF frc file
Revision 564 - Directory Listing - [select for diffs]
Modified Tue Jun 24 19:57:54 2003 UTC (22 years, 3 months ago) by mmeineke
Diff to previous 559 
added Harmonic bod into the DUFF forcefield and BondExtensions.cpp
Revision 559 - Directory Listing - [select for diffs]
Modified Thu Jun 19 22:02:44 2003 UTC (22 years, 3 months ago) by mmeineke
Diff to previous 554 
slowly converting to new integrator and forcefield names.
Revision 554 - Directory Listing - [select for diffs]
Modified Tue Jun 17 21:55:55 2003 UTC (22 years, 3 months ago) by mmeineke
Diff to previous 532 
Added Teng's parmeters fro the ghost Bend in TraPPE_Ex
Revision 532 - Directory Listing - [select for diffs]
Modified Tue May 13 20:34:33 2003 UTC (22 years, 4 months ago) by mmeineke
Diff to previous 531 
finished adding the Tail beads into the Trappe extended force field
Revision 531 - Directory Listing - [select for diffs]
Modified Tue May 13 17:01:07 2003 UTC (22 years, 4 months ago) by mmeineke
Diff to previous 529 
added the TailBead atom types to the TraPPe_Ex forceField
Revision 529 - Directory Listing - [select for diffs]
Modified Fri May 9 19:51:11 2003 UTC (22 years, 4 months ago) by mmeineke
Diff to previous 528 
fixed up the TraPPE_Ex force field. there were some duplicate entries
Revision 528 - Directory Listing - [select for diffs]
Modified Fri May 9 16:56:27 2003 UTC (22 years, 4 months ago) by mmeineke
Diff to previous 500 
added the utils subdirectory to the configure script

added the CH branching group to the TraPPE_Ex fource field
Revision 500 - Directory Listing - [select for diffs]
Modified Tue Apr 15 20:40:04 2003 UTC (22 years, 5 months ago) by chuckv
Diff to previous 493 
Added eam force files...
Revision 493 - Directory Listing - [select for diffs]
Modified Mon Apr 14 19:03:38 2003 UTC (22 years, 5 months ago) by mmeineke
Diff to previous 387 
added Ghost bends to the TraPPE_Ex forceField
Revision 387 - Directory Listing - [select for diffs]
Modified Fri Mar 21 21:26:59 2003 UTC (22 years, 6 months ago) by chuckv
Diff to previous 385 
added links to the makefile in forceFields
Revision 385 - Directory Listing - [select for diffs]
Modified Fri Mar 21 20:37:58 2003 UTC (22 years, 6 months ago) by gezelter
Diff to previous 383 
Makefile fixes, directory re-org, autoconf fixes
Revision 383 - Directory Listing - [select for diffs]
Modified Fri Mar 21 19:55:34 2003 UTC (22 years, 6 months ago) by gezelter
Diff to previous 382 
Fixed makefile
Revision 382 - Directory Listing - [select for diffs]
Modified Fri Mar 21 19:49:13 2003 UTC (22 years, 6 months ago) by gezelter
Diff to previous 378 
Makefile for forceFields
Revision 378 - Directory Listing - [select for diffs]
Added Fri Mar 21 17:42:12 2003 UTC (22 years, 6 months ago) by mmeineke 
This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.

Convenience Links