Revision 1808 - (view) (annotate) - [select for diffs]
Modified Mon Oct 22 20:42:10 2012 UTC (12 years, 6 months ago) by gezelter
File length: 5502 byte(s)
Diff to previous 1776

A bug fix in the electric field for the new electrostatic code.  Also comment fixes for Doxygen 

Fixes to mdParser to handle vector assignments, fixes for VelocityVerletIntegrator deleting rnemd_ when it doesn't exist yet.

Revision 1774 - (view) (annotate) - [select for diffs]
Modified Wed Aug 8 16:03:02 2012 UTC (12 years, 8 months ago) by gezelter
File length: 5500 byte(s)
Diff to previous 1773

Cleaning up RNEMD log, adding XY area to Snapshot

Adding new RNEMD options and output file format

Revision 1731 - (view) (annotate) - [select for diffs]
Modified Thu May 31 12:25:30 2012 UTC (12 years, 11 months ago) by gezelter
File length: 5937 byte(s)
Copied from: branches/development/src/integrators/RNEMD.hpp revision 1730
Diff to previous 1730

Reorganized source directories, added RNEMD and flucQ blocks for
options parsing.

Fixed compilation issues

Revision 1728 - (view) (annotate) - [select for diffs]
Modified Wed May 30 16:07:03 2012 UTC (12 years, 11 months ago) by jmarr
Original Path: branches/development/src/integrators/RNEMD.hpp
File length: 5830 byte(s)
Diff to previous 1722

resolved

Merging Shenyu's RNEMD changes from openmd-1 into the development branch.

Revision 1665 - (view) (annotate) - [select for diffs]
Modified Tue Nov 22 20:38:56 2011 UTC (13 years, 5 months ago) by gezelter
Original Path: branches/development/src/integrators/RNEMD.hpp
File length: 4690 byte(s)
Diff to previous 1629

updated copyright notices

Merging changes from old branch into development branch

Revision 1465 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 23:08:25 2010 UTC (14 years, 9 months ago) by chuckv
Original Path: branches/development/src/integrators/RNEMD.hpp
File length: 4189 byte(s)
Diff to previous 1442

Creating busticated version of OpenMD

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/RNEMD.hpp
File length: 4189 byte(s)
Diff to previous 1368

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

added RNEMD scaling

Revision 1350 - (view) (annotate) - [select for diffs]
Modified Thu May 21 18:56:45 2009 UTC (15 years, 11 months ago) by gezelter
Original Path: trunk/src/integrators/RNEMD.hpp
File length: 3409 byte(s)
Diff to previous 1338

Parallel version of RNEMD

Added a getStatus routine to check the temperatures

Revision 1332 - (view) (annotate) - [select for diffs]
Modified Thu Apr 2 17:25:59 2009 UTC (16 years, 1 month ago) by gezelter
Original Path: trunk/src/integrators/RNEMD.hpp
File length: 3386 byte(s)
Diff to previous 1331

fixed some bugs, added some logic to sort stuntdoubles

Adding options to RNEMD for selecting particular StuntDoubles

Revision 1330 - (view) (annotate) - [select for diffs]
Modified Thu Mar 19 21:03:36 2009 UTC (16 years, 1 month ago) by skuang
Original Path: trunk/src/integrators/RNEMD.hpp
File length: 3172 byte(s)
Diff to previous 1329

Added handlers to Integrator to call RNEMD at the right times.  Added initialization
to RNEMD to make sure values from the MD file are available.

Adding RNEMD