[ViewVC] Log of: OpenMD/branches/development/src/integrators/NVT.cpp

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: 8241 byte(s)
Diff to previous 1715

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

Revision 1715 - (view) (annotate) - [select for diffs]
Modified Tue May 22 21:55:31 2012 UTC (12 years, 11 months ago) by gezelter
File length: 9258 byte(s)
Diff to previous 1710

Adding more support structure for Fluctuating Charges.

Revision 1710 - (view) (annotate) - [select for diffs]
Modified Fri May 18 21:44:02 2012 UTC (12 years, 11 months ago) by gezelter
File length: 9208 byte(s)
Diff to previous 1665

Added an adapter layer between the AtomType and the rest of the code to 
handle the bolt-on capabilities of new types. 

Fixed a long-standing bug in how storageLayout was being set to the maximum
possible value.

Started to add infrastructure for Polarizable and fluc-Q calculations.

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: 9134 byte(s)
Diff to previous 1465

updated copyright notices

Revision 1465 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 23:08:25 2010 UTC (14 years, 9 months ago) by chuckv
File length: 9068 byte(s)
Diff to previous 1442

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/integrators/NVT.cpp
File length: 9068 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, 5 months ago) by gezelter
Original Path: trunk/src/integrators/NVT.cpp
File length: 9068 byte(s)
Diff to previous 1277

Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)

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/integrators/NVT.cpp
File length: 8975 byte(s)
Diff to previous 963

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

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/integrators/NVT.cpp
File length: 8977 byte(s)
Diff to previous 665

Adding single precision capabilities to c++ side

Revision 665 - (view) (annotate) - [select for diffs]
Modified Thu Oct 13 22:26:47 2005 UTC (19 years, 6 months ago) by tim
Original Path: trunk/src/integrators/NVT.cpp
File length: 8941 byte(s)
Diff to previous 546

rewrite Globals

Revision 546 - (view) (annotate) - [select for diffs]
Modified Sun May 29 00:06:14 2005 UTC (19 years, 11 months ago) by tim
Original Path: trunk/src/integrators/NVT.cpp
File length: 8927 byte(s)
Diff to previous 507

adding resetIntegrator

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/integrators/NVT.cpp
File length: 8803 byte(s)
Diff to previous 271

xemacs has been drafted to perform our indentation services

Revision 271 - (view) (annotate) - [select for diffs]
Modified Mon Jan 17 16:58:32 2005 UTC (20 years, 3 months ago) by tim
Original Path: trunk/src/integrators/NVT.cpp
File length: 9280 byte(s)
Diff to previous 270

fix a bug in loading initial extended system parameters

Revision 270 - (view) (annotate) - [select for diffs]
Modified Mon Jan 17 16:05:30 2005 UTC (20 years, 3 months ago) by tim
Original Path: trunk/src/integrators/NVT.cpp
File length: 9279 byte(s)
Diff to previous 246

forget to set maxIterNum_ in NVT

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/integrators/NVT.cpp
File length: 9263 byte(s)
Diff to previous 132

merging new_design branch into OOPSE-2.0

Revision 132 - (view) (annotate) - [select for diffs]
Modified Thu Oct 21 16:22:01 2004 UTC (20 years, 6 months ago) by tim
Original Path: trunk/src/integrators/NVT.cpp
File length: 6832 byte(s)
Diff to previous 3

replace old GebericData with  new GenericData

Revision 3 - (view) (annotate) - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (20 years, 7 months ago) by tim
Original Path: trunk/src/integrators/NVT.cpp
File length: 6804 byte(s)
Diff to previous 2

change the #include in source files

Revision 2 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (20 years, 7 months ago) by gezelter
Original Path: trunk/src/integrators/NVT.cpp
File length: 6724 byte(s)

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