Cleaning up RNEMD log, adding XY area to Snapshot

Revision 1764 - (view) (annotate) - [select for diffs]
Modified Tue Jul 3 18:32:27 2012 UTC (12 years, 9 months ago) by gezelter
File length: 11004 byte(s)
Diff to previous 1760

Refactored Snapshot and Stats to use the Accumulator classes.  Collected
a number of methods into Thermo that belonged there.

Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData

Revision 1757 - (view) (annotate) - [select for diffs]
Modified Tue Jun 19 02:11:07 2012 UTC (12 years, 10 months ago) by gezelter
File length: 11712 byte(s)
Diff to previous 1744

Possibly fixed the rigid body global indexing issue.  Reformatted
comments. Started work on the FrameData section of Snapshot.
        

Fixes for minimization

Revision 1723 - (view) (annotate) - [select for diffs]
Modified Thu May 24 20:59:54 2012 UTC (12 years, 11 months ago) by gezelter
File length: 11043 byte(s)
Diff to previous 1715

Bug fixes for heat flux import

Adding more support structure for Fluctuating Charges.

Revision 1709 - (view) (annotate) - [select for diffs]
Modified Tue May 15 13:04:08 2012 UTC (12 years, 11 months ago) by gezelter
File length: 7192 byte(s)
Diff to previous 1708

Moving silly stuff out of Stats and into Snapshot.  Most of it should go
into a not-yet-implemented FrameData class.

Adding some new atom types, fixing a convex hull bug, removing silly stuff 
from Snapshot

Revision 1665 - (view) (annotate) - [select for diffs]
Modified Tue Nov 22 20:38:56 2011 UTC (13 years, 5 months ago) by gezelter
File length: 7068 byte(s)
Diff to previous 1562

updated copyright notices

changes for cell linked lists

Revision 1551 - (view) (annotate) - [select for diffs]
Modified Thu Apr 28 18:38:21 2011 UTC (14 years ago) by gezelter
File length: 6900 byte(s)
Diff to previous 1550

More changes for parallel

more fortran removal

Revision 1544 - (view) (annotate) - [select for diffs]
Modified Fri Mar 18 19:31:52 2011 UTC (14 years, 1 month ago) by gezelter
File length: 7746 byte(s)
Diff to previous 1541

More modifications for paralllel rewrite

working on communicators

Revision 1540 - (view) (annotate) - [select for diffs]
Modified Mon Jan 17 21:34:36 2011 UTC (14 years, 3 months ago) by gezelter
File length: 7627 byte(s)
Diff to previous 1465

changes for new parallel architecture

Creating busticated version of OpenMD

Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
Original Path: trunk/src/brains/Snapshot.hpp
File length: 6492 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 1302 - (view) (annotate) - [select for diffs]
Modified Tue Oct 7 17:12:48 2008 UTC (16 years, 6 months ago) by chuckv
Original Path: trunk/src/brains/Snapshot.hpp
File length: 6450 byte(s)
Diff to previous 1287

Work continues on constant pressure langevin dynamics.

more changes for 1-2, 1-3, 1-4 interactions plus some initialization-ordering
fixes to make gcc -Wall happier.

Revision 1277 - (view) (annotate) - [select for diffs]
Modified Mon Jul 14 12:35:58 2008 UTC (16 years, 9 months ago) by gezelter
Original Path: trunk/src/brains/Snapshot.hpp
File length: 6181 byte(s)
Diff to previous 1112

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

Changes to add thetacorr to dynamic props and fixes to radial rcorr.

Revision 1104 - (view) (annotate) - [select for diffs]
Modified Fri Dec 29 21:43:18 2006 UTC (18 years, 4 months ago) by gezelter
Original Path: trunk/src/brains/Snapshot.hpp
File length: 5807 byte(s)
Diff to previous 1021

Adding the ability to compute Center of Mass properties on
reading in a dump file.  DumpReader must be told if it needs
to do this, however.

starting change of file formats

Revision 963 - (view) (annotate) - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (18 years, 11 months ago) by tim
Original Path: trunk/src/brains/Snapshot.hpp
File length: 5242 byte(s)
Diff to previous 665

Adding single precision capabilities to c++ side

rewrite Globals

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
Original Path: trunk/src/brains/Snapshot.hpp
File length: 5202 byte(s)
Diff to previous 316

xemacs has been drafted to perform our indentation services

adding one more constructor to Snapshot to create customized DataStorage

Revision 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 3 months ago) by gezelter
Original Path: trunk/src/brains/Snapshot.hpp
File length: 5655 byte(s)
Diff to previous 155

merging new_design branch into OOPSE-2.0

DataStorage passes unit test

Revision 152 - (view) (annotate) - [select for diffs]
Modified Tue Oct 26 17:28:53 2004 UTC (20 years, 6 months ago) by tim
Original Path: trunk/src/brains/Snapshot.hpp
File length: 5618 byte(s)
Diff to previous 149

Snaphot and SnapshotTestCase in progress

more classes get reconstructed

Revision 146 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 23:09:57 2004 UTC (20 years, 6 months ago) by tim
Original Path: trunk/src/brains/Snapshot.hpp
File length: 4354 byte(s)
Diff to previous 137

more work in Snapshot

Snapshot and SnapshotManager in progress

Revision 122 - (view) (annotate) - [select for diffs]
Added Wed Oct 20 05:52:25 2004 UTC (20 years, 6 months ago) by tim
Original Path: trunk/src/brains/Snapshot.hpp
File length: 1694 byte(s)

Snapshot and SnapshotManager in design phase