Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
File length: 1582 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 1292 - (view) (annotate) - [select for diffs]
Modified Fri Sep 12 20:51:22 2008 UTC (16 years, 7 months ago) by chuckv
File length: 1580 byte(s)
Diff to previous 1161

fixed thermo bug

more changes to MnM.

Revision 1126 - (view) (annotate) - [select for diffs]
Modified Fri Apr 6 21:53:43 2007 UTC (18 years ago) by gezelter
File length: 1570 byte(s)
Diff to previous 1050

Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...

refined the reaction field dielectric passing

Revision 998 - (view) (annotate) - [select for diffs]
Modified Mon Jul 3 13:18:43 2006 UTC (18 years, 10 months ago) by chrisfen
File length: 1613 byte(s)
Diff to previous 963

Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants

Adding single precision capabilities to c++ side

Revision 734 - (view) (annotate) - [select for diffs]
Modified Tue Nov 15 16:05:38 2005 UTC (19 years, 5 months ago) by chuckv
File length: 1503 byte(s)
Diff to previous 728

Sutton-Chen added to SimInfo

Sutton-Chen almost done. Just need to fix do_forces to use Sutton-Chen.

Revision 720 - (view) (annotate) - [select for diffs]
Modified Tue Nov 8 13:32:06 2005 UTC (19 years, 5 months ago) by chrisfen
File length: 1407 byte(s)
Diff to previous 705

Added a keyword for output of forces and torques

fixed a capitalization problem with NPT integrator initialization

Revision 611 - (view) (annotate) - [select for diffs]
Modified Mon Sep 19 23:21:46 2005 UTC (19 years, 7 months ago) by chrisfen
File length: 1361 byte(s)
Diff to previous 580

Fixed bugs in reaction field, now it appears as though it really is working...

made some changes for implementing the wolf potential

Revision 564 - (view) (annotate) - [select for diffs]
Modified Wed Jul 13 15:54:00 2005 UTC (19 years, 9 months ago) by tim
File length: 1361 byte(s)
Diff to previous 523

replace c++ style comment in c files

OOPSE setup for TAP water.  It's not parametrized, but OOPSE will now let me run it...

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 1293 byte(s)
Diff to previous 253

xemacs has been drafted to perform our indentation services

port to SGI platform

Revision 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 3 months ago) by gezelter
File length: 3346 byte(s)
Diff to previous 141

merging new_design branch into OOPSE-2.0

fixey fixey

Revision 2 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (20 years, 7 months ago) by gezelter
File length: 988 byte(s)

Import of OOPSE v. 2.0