[ViewVC] Log of: OpenMD/branches/development/src/brains/ForceManager.hpp

Revision 1787 - (view) (annotate) - [select for diffs]
Modified Wed Aug 29 18:13:11 2012 UTC (12 years, 8 months ago) by gezelter
File length: 4533 byte(s)
Diff to previous 1780

Massive multipole rewrite

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Modified Mon Aug 20 18:28:22 2012 UTC (12 years, 8 months ago) by jmarr
File length: 4506 byte(s)
Diff to previous 1723

Adding an electric field and the architecture for external perturbations.   Fixing a bug in MultipoleAtomTypesSectionParser.

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: 4421 byte(s)
Diff to previous 1711

Bug fixes for heat flux import

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Modified Sat May 19 02:58:35 2012 UTC (12 years, 11 months ago) by gezelter
File length: 4393 byte(s)
Diff to previous 1665

Some fixes for DataStorage issues.  Removed outdated zangle stuff that
has been replaced by the more modern restraints.

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: 4368 byte(s)
Diff to previous 1587

updated copyright notices

Revision 1587 - (view) (annotate) - [select for diffs]
Modified Fri Jul 8 20:25:32 2011 UTC (13 years, 9 months ago) by gezelter
File length: 4302 byte(s)
Diff to previous 1576

Fixes

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Modified Wed Jun 8 16:05:07 2011 UTC (13 years, 10 months ago) by gezelter
File length: 4337 byte(s)
Diff to previous 1570

migrating cutoff information from InteractionManager to ForceManager

Revision 1570 - (view) (annotate) - [select for diffs]
Modified Thu May 26 21:56:04 2011 UTC (13 years, 11 months ago) by gezelter
File length: 3699 byte(s)
Diff to previous 1549

More fixes

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Modified Wed Apr 27 18:38:15 2011 UTC (14 years ago) by gezelter
File length: 3744 byte(s)
Diff to previous 1546

a few more tweaks   We're getting somewhat closer to deleting fortran.

Revision 1546 - (view) (annotate) - [select for diffs]
Modified Sun Apr 10 15:16:39 2011 UTC (14 years ago) by gezelter
File length: 3733 byte(s)
Diff to previous 1545

closer to a real force loop

Revision 1545 - (view) (annotate) - [select for diffs]
Modified Fri Apr 8 21:25:19 2011 UTC (14 years ago) by gezelter
File length: 3590 byte(s)
Diff to previous 1544

still busted, but much progress

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: 3775 byte(s)
Diff to previous 1528

More modifications for paralllel rewrite

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Modified Fri Dec 17 20:11:05 2010 UTC (14 years, 4 months ago) by gezelter
File length: 3709 byte(s)
Diff to previous 1503

Doesn't build yet, but getting much closer...

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Modified Sat Oct 2 19:54:41 2010 UTC (14 years, 7 months ago) by gezelter
File length: 3976 byte(s)
Diff to previous 1489

Changes to remove more of the low level stuff from the fortran side.

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Modified Tue Aug 10 18:34:59 2010 UTC (14 years, 8 months ago) by gezelter
File length: 3852 byte(s)
Diff to previous 1485

Migrating Sutton-Chen from Fortran over to C++

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Modified Wed Jul 28 19:52:00 2010 UTC (14 years, 9 months ago) by gezelter
File length: 3811 byte(s)
Diff to previous 1483

Converting Sticky over to C++

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Modified Tue Jul 27 21:17:31 2010 UTC (14 years, 9 months ago) by gezelter
File length: 3758 byte(s)
Diff to previous 1480

Added GB module to the C++ side, got rid of it on the fortran side.

Revision 1480 - (view) (annotate) - [select for diffs]
Modified Mon Jul 26 19:50:53 2010 UTC (14 years, 9 months ago) by gezelter
File length: 3717 byte(s)
Diff to previous 1470

no longer segfaults

Revision 1470 - (view) (annotate) - [select for diffs]
Modified Mon Jul 19 18:48:23 2010 UTC (14 years, 9 months ago) by gezelter
File length: 3673 byte(s)
Diff to previous 1469

builds

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Modified Mon Jul 19 14:07:59 2010 UTC (14 years, 9 months ago) by gezelter
File length: 3670 byte(s)
Diff to previous 1467

attempts at c++->fortran linkage.  Still busticated.

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Modified Sat Jul 17 15:33:03 2010 UTC (14 years, 9 months ago) by gezelter
File length: 3657 byte(s)
Diff to previous 1465

well, it compiles, but still segfaults

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: 3596 byte(s)
Diff to previous 1464

Creating busticated version of OpenMD

Revision 1464 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 19:29:05 2010 UTC (14 years, 9 months ago) by gezelter
Original Path: trunk/src/brains/ForceManager.hpp
File length: 3596 byte(s)
Diff to previous 1442

removing cruft (atom numbers, do_pot, do_stress) from many modules and
force managers

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/ForceManager.hpp
File length: 3681 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/brains/ForceManager.hpp
File length: 3681 byte(s)
Diff to previous 1275

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

Revision 1275 - (view) (annotate) - [select for diffs]
Modified Fri Jul 4 20:54:29 2008 UTC (16 years, 9 months ago) by cli2
Original Path: trunk/src/brains/ForceManager.hpp
File length: 3638 byte(s)
Diff to previous 1126

Changes required for Inversions and Base Atom types.  This will
break OOPSE badly for a few days or so...

Revision 1126 - (view) (annotate) - [select for diffs]
Modified Fri Apr 6 21:53:43 2007 UTC (18 years ago) by gezelter
Original Path: trunk/src/brains/ForceManager.hpp
File length: 3576 byte(s)
Diff to previous 749

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 749 - (view) (annotate) - [select for diffs]
Modified Wed Nov 16 23:10:02 2005 UTC (19 years, 5 months ago) by tim
Original Path: trunk/src/brains/ForceManager.hpp
File length: 3518 byte(s)
Diff to previous 507

OptionSectionParser get compiled

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/ForceManager.hpp
File length: 3377 byte(s)
Diff to previous 246

xemacs has been drafted to perform our indentation services

Revision 246 - (view) (annotate) - [select for diffs]
Added Wed Jan 12 22:41:40 2005 UTC (20 years, 3 months ago) by gezelter
Original Path: trunk/src/brains/ForceManager.hpp
File length: 3413 byte(s)

merging new_design branch into OOPSE-2.0

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