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Revision 1328 - Directory Listing - [select for diffs]
Modified Thu Jul 15 19:37:49 2004 UTC (19 years, 11 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 (20 years 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 (20 years 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 (20 years 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 (20 years 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 (20 years 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 (20 years 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 (20 years, 1 month 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 (20 years, 2 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 (20 years, 2 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 (20 years, 5 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 (20 years, 5 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 (20 years, 7 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 (20 years, 8 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 (20 years, 9 months 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 (20 years, 10 months 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 (20 years, 10 months 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 (20 years, 11 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 (20 years, 11 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 (21 years 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 (21 years 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 (21 years 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 (21 years 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 (21 years, 1 month 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 (21 years, 1 month 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 (21 years, 1 month 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 (21 years, 1 month 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 (21 years, 2 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 (21 years, 2 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 (21 years, 3 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 (21 years, 3 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 (21 years, 3 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 (21 years, 3 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 (21 years, 3 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.

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