Starting to get ready for 2.3 release.
Separating type parsers from io routines.
Fixing old samples to use newer syntax.

Revision 1996 - (view) (annotate) - [select for diffs]
Modified Wed May 28 17:32:27 2014 UTC (11 years, 6 months ago) by gezelter
File length: 9134 byte(s)
Diff to previous 1995

fixed a bug in parsing the harmonic torsion type

Torsion changes for 180_trans 

Revision 1879 - (view) (annotate) - [select for diffs]
Modified Sun Jun 16 15:15:42 2013 UTC (12 years, 6 months ago) by gezelter
File length: 8090 byte(s)
Diff to previous 1782

MERGE OpenMD development 1783:1878 into trunk

MERGE OpenMD development branch 1465:1781 into trunk

Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (15 years, 7 months ago) by gezelter
File length: 7245 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 (17 years, 3 months ago) by chuckv
File length: 7202 byte(s)
Diff to previous 1290

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

Inversion fixes and amber mostly working

Revision 1277 - (view) (annotate) - [select for diffs]
Modified Mon Jul 14 12:35:58 2008 UTC (17 years, 5 months ago) by gezelter
File length: 7111 byte(s)
Diff to previous 1258

Changes for implementing Amber force field:  Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.

Adding Trappe torsion types and fixing Opls types

Revision 1257 - (view) (annotate) - [select for diffs]
Modified Wed Jun 11 16:49:56 2008 UTC (17 years, 6 months ago) by chuckv
File length: 6610 byte(s)
Diff to previous 1195

Code work on thiols and TraPPE torsions.

Many fixes for Charmm-type torsions.

Revision 963 - (view) (annotate) - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (19 years, 7 months ago) by tim
File length: 6071 byte(s)
Diff to previous 802

Adding single precision capabilities to c++ side

Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.

Revision 749 - (view) (annotate) - [select for diffs]
Modified Wed Nov 16 23:10:02 2005 UTC (20 years, 1 month ago) by tim
File length: 5998 byte(s)
Diff to previous 507

OptionSectionParser get compiled

xemacs has been drafted to perform our indentation services

Revision 273 - (view) (annotate) - [select for diffs]
Modified Tue Jan 25 17:45:23 2005 UTC (20 years, 10 months ago) by tim
File length: 6553 byte(s)
Diff to previous 246

(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor

merging new_design branch into OOPSE-2.0