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root/OpenMD/branches/heatflux/src/brains/fSimulation.h
Revision 1670 - (view) (annotate) - [select for diffs]
Modified Fri Jan 27 19:07:19 2012 UTC (13 years, 6 months ago) by chuckv
File length: 1582 byte(s)
Diff to previous 1442
Adding experimental branch for calculation of the heatflux based on old version of OpenMD.
This will need to be ported to the development branch later.

Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (15 years, 3 months ago) by gezelter
Original Path: trunk/src/brains/fSimulation.h
File length: 1582 byte(s)
Diff to previous 1390
Adding property set to svn entries

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 8 months ago) by gezelter
Original Path: trunk/src/brains/fSimulation.h
File length: 1582 byte(s)
Diff to previous 1292
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, 11 months ago) by chuckv
Original Path: trunk/src/brains/fSimulation.h
File length: 1580 byte(s)
Diff to previous 1161
fixed thermo bug

Revision 1161 - (view) (annotate) - [select for diffs]
Modified Thu Jul 12 23:20:44 2007 UTC (18 years, 1 month ago) by chuckv
Original Path: trunk/src/brains/fSimulation.h
File length: 1568 byte(s)
Diff to previous 1126
more changes to MnM.

Revision 1126 - (view) (annotate) - [select for diffs]
Modified Fri Apr 6 21:53:43 2007 UTC (18 years, 4 months ago) by gezelter
Original Path: trunk/src/brains/fSimulation.h
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...

Revision 1050 - (view) (annotate) - [select for diffs]
Modified Fri Sep 22 22:19:59 2006 UTC (18 years, 10 months ago) by chrisfen
Original Path: trunk/src/brains/fSimulation.h
File length: 1504 byte(s)
Diff to previous 998
refined the reaction field dielectric passing

Revision 998 - (view) (annotate) - [select for diffs]
Modified Mon Jul 3 13:18:43 2006 UTC (19 years, 1 month ago) by chrisfen
Original Path: trunk/src/brains/fSimulation.h
File length: 1613 byte(s)
Diff to previous 963
Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants

Revision 963 - (view) (annotate) - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (19 years, 2 months ago) by tim
Original Path: trunk/src/brains/fSimulation.h
File length: 1507 byte(s)
Diff to previous 734
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, 8 months ago) by chuckv
Original Path: trunk/src/brains/fSimulation.h
File length: 1503 byte(s)
Diff to previous 728
Sutton-Chen added to SimInfo

Revision 728 - (view) (annotate) - [select for diffs]
Modified Mon Nov 14 21:29:36 2005 UTC (19 years, 8 months ago) by chuckv
Original Path: trunk/src/brains/fSimulation.h
File length: 1520 byte(s)
Diff to previous 720
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, 9 months ago) by chrisfen
Original Path: trunk/src/brains/fSimulation.h
File length: 1407 byte(s)
Diff to previous 705
Added a keyword for output of forces and torques

Revision 705 - (view) (annotate) - [select for diffs]
Modified Tue Nov 1 19:14:27 2005 UTC (19 years, 9 months ago) by chrisfen
Original Path: trunk/src/brains/fSimulation.h
File length: 1423 byte(s)
Diff to previous 611
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, 10 months ago) by chrisfen
Original Path: trunk/src/brains/fSimulation.h
File length: 1361 byte(s)
Diff to previous 580
Fixed bugs in reaction field, now it appears as though it really is working...

Revision 580 - (view) (annotate) - [select for diffs]
Modified Tue Aug 30 18:23:50 2005 UTC (19 years, 11 months ago) by chrisfen
Original Path: trunk/src/brains/fSimulation.h
File length: 1453 byte(s)
Diff to previous 564
made some changes for implementing the wolf potential

Revision 564 - (view) (annotate) - [select for diffs]
Modified Wed Jul 13 15:54:00 2005 UTC (20 years, 1 month ago) by tim
Original Path: trunk/src/brains/fSimulation.h
File length: 1361 byte(s)
Diff to previous 523
replace c++ style comment in c files

Revision 523 - (view) (annotate) - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (20 years, 3 months ago) by chrisfen
Original Path: trunk/src/brains/fSimulation.h
File length: 1357 byte(s)
Diff to previous 507
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, 3 months ago) by gezelter
Original Path: trunk/src/brains/fSimulation.h
File length: 1293 byte(s)
Diff to previous 253
xemacs has been drafted to perform our indentation services

Revision 253 - (view) (annotate) - [select for diffs]
Modified Thu Jan 13 19:40:37 2005 UTC (20 years, 7 months ago) by tim
Original Path: trunk/src/brains/fSimulation.h
File length: 1269 byte(s)
Diff to previous 246
port to SGI platform

Revision 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 7 months ago) by gezelter
Original Path: trunk/src/brains/fSimulation.h
File length: 3346 byte(s)
Diff to previous 141
merging new_design branch into OOPSE-2.0

Revision 141 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 21:21:02 2004 UTC (20 years, 9 months ago) by gezelter
Original Path: trunk/src/brains/fSimulation.h
File length: 1266 byte(s)
Diff to previous 2
fixey fixey

Revision 2 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (20 years, 10 months ago) by gezelter
Original Path: trunk/src/brains/fSimulation.h
File length: 988 byte(s)
Import of OOPSE v. 2.0

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