[ViewVC] Log of: OpenMD/branches/development/src/types/AtomType.hpp

Revision 1850 - (view) (annotate) - [select for diffs]
Modified Wed Feb 20 15:39:39 2013 UTC (13 years, 2 months ago) by gezelter
File length: 5428 byte(s)
Diff to previous 1845

Fixed a widespread typo in the license

Revision 1845 - (view) (annotate) - [select for diffs]
Modified Thu Jan 31 04:00:02 2013 UTC (13 years, 3 months ago) by gezelter
File length: 5427 byte(s)
Diff to previous 1787

Fixed a bug in RigidBody, added a check for fixed vs. fluctuating charge

Revision 1787 - (view) (annotate) - [select for diffs]
Modified Wed Aug 29 18:13:11 2012 UTC (13 years, 8 months ago) by gezelter
File length: 5401 byte(s)
Diff to previous 1715

Massive multipole rewrite

Revision 1715 - (view) (annotate) - [select for diffs]
Modified Tue May 22 21:55:31 2012 UTC (13 years, 11 months ago) by gezelter
File length: 5376 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 (13 years, 11 months ago) by gezelter
File length: 5344 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 (14 years, 5 months ago) by gezelter
File length: 6195 byte(s)
Diff to previous 1532

updated copyright notices

Revision 1532 - (view) (annotate) - [select for diffs]
Modified Wed Dec 29 19:59:21 2010 UTC (15 years, 4 months ago) by gezelter
File length: 6129 byte(s)
Diff to previous 1505

Added MAW to the C++ side, removed a whole bunch more fortran.

Revision 1505 - (view) (annotate) - [select for diffs]
Modified Sun Oct 3 22:18:59 2010 UTC (15 years, 7 months ago) by gezelter
File length: 6357 byte(s)
Diff to previous 1479

Less busted than it was on last check-in, but still won't completely
build.

Revision 1479 - (view) (annotate) - [select for diffs]
Modified Mon Jul 26 19:00:48 2010 UTC (15 years, 9 months ago) by gezelter
File length: 6388 byte(s)
Diff to previous 1465

Added EAM.  Still segfaults but compiles.

Revision 1465 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 23:08:25 2010 UTC (15 years, 10 months ago) by chuckv
File length: 6374 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 (16 years ago) by gezelter
Original Path: trunk/src/types/AtomType.hpp
File length: 6374 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 (16 years, 5 months ago) by gezelter
Original Path: trunk/src/types/AtomType.hpp
File length: 6374 byte(s)
Diff to previous 1306

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

Revision 1306 - (view) (annotate) - [select for diffs]
Modified Thu Oct 16 18:25:36 2008 UTC (17 years, 6 months ago) by chuckv
Original Path: trunk/src/types/AtomType.hpp
File length: 6330 byte(s)
Diff to previous 1293

Returned old LD forces to SMIPDForceManager.

Revision 1293 - (view) (annotate) - [select for diffs]
Modified Sun Sep 14 01:32:26 2008 UTC (17 years, 7 months ago) by chuckv
Original Path: trunk/src/types/AtomType.hpp
File length: 6311 byte(s)
Diff to previous 1282

Added large quantities of code for convex hull and constant pressure langevin dynamics.

Revision 1282 - (view) (annotate) - [select for diffs]
Modified Wed Jul 30 18:11:19 2008 UTC (17 years, 9 months ago) by gezelter
Original Path: trunk/src/types/AtomType.hpp
File length: 6305 byte(s)
Diff to previous 1269

Many fixes

Revision 1269 - (view) (annotate) - [select for diffs]
Modified Tue Jul 1 13:28:23 2008 UTC (17 years, 10 months ago) by gezelter
Original Path: trunk/src/types/AtomType.hpp
File length: 6076 byte(s)
Diff to previous 1170

Adding infrastructure for Amber force field.

Revision 1170 - (view) (annotate) - [select for diffs]
Modified Fri Jul 13 17:37:25 2007 UTC (18 years, 9 months ago) by gezelter
Original Path: trunk/src/types/AtomType.hpp
File length: 6611 byte(s)
Diff to previous 1155

removed MWM as an atom type property

Revision 1155 - (view) (annotate) - [select for diffs]
Modified Mon Jul 9 21:11:20 2007 UTC (18 years, 10 months ago) by chuckv
Original Path: trunk/src/types/AtomType.hpp
File length: 6663 byte(s)
Diff to previous 1149

Changes for Non-Bonded interactions.

Revision 1149 - (view) (annotate) - [select for diffs]
Modified Fri Jul 6 18:13:40 2007 UTC (18 years, 10 months ago) by chuckv
Original Path: trunk/src/types/AtomType.hpp
File length: 6562 byte(s)
Diff to previous 963

Adding support for non-bonded interactions to OOPSE.

Revision 963 - (view) (annotate) - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (19 years, 11 months ago) by tim
Original Path: trunk/src/types/AtomType.hpp
File length: 6680 byte(s)
Diff to previous 728

Adding single precision capabilities to c++ side

Revision 728 - (view) (annotate) - [select for diffs]
Modified Mon Nov 14 21:29:36 2005 UTC (20 years, 5 months ago) by chuckv
Original Path: trunk/src/types/AtomType.hpp
File length: 6627 byte(s)
Diff to previous 523

Sutton-Chen almost done. Just need to fix do_forces to use Sutton-Chen.

Revision 523 - (view) (annotate) - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (21 years ago) by chrisfen
Original Path: trunk/src/types/AtomType.hpp
File length: 6228 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 (21 years ago) by gezelter
Original Path: trunk/src/types/AtomType.hpp
File length: 6157 byte(s)
Diff to previous 410

xemacs has been drafted to perform our indentation services

Revision 410 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 14:26:15 2005 UTC (21 years, 2 months ago) by gezelter
Original Path: trunk/src/types/AtomType.hpp
File length: 7187 byte(s)
Diff to previous 378

added splitDipole and fixed quadrupole stuff

Revision 378 - (view) (annotate) - [select for diffs]
Modified Fri Feb 25 21:22:00 2005 UTC (21 years, 2 months ago) by tim
Original Path: trunk/src/types/AtomType.hpp
File length: 7095 byte(s)
Diff to previous 246

adding soft potential to LJ Module

Revision 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (21 years, 3 months ago) by gezelter
Original Path: trunk/src/types/AtomType.hpp
File length: 7073 byte(s)
Diff to previous 159

merging new_design branch into OOPSE-2.0

Revision 159 - (view) (annotate) - [select for diffs]
Modified Tue Oct 26 22:25:19 2004 UTC (21 years, 6 months ago) by gezelter
Original Path: trunk/src/types/AtomType.hpp
File length: 1963 byte(s)
Diff to previous 144

Making ShapeType into a ShapeAtomType, fixing some isXXX

Revision 144 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 22:54:15 2004 UTC (21 years, 6 months ago) by chrisfen
Original Path: trunk/src/types/AtomType.hpp
File length: 1655 byte(s)
Diff to previous 141

strDUP not strCOPY

Revision 141 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 21:21:02 2004 UTC (21 years, 6 months ago) by gezelter
Original Path: trunk/src/types/AtomType.hpp
File length: 1654 byte(s)
Diff to previous 139

fixey fixey

Revision 139 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 20:21:36 2004 UTC (21 years, 6 months ago) by gezelter
Original Path: trunk/src/types/AtomType.hpp
File length: 1652 byte(s)
Diff to previous 138

More on AtomType and DirectionalAtomType

Revision 138 - (view) (annotate) - [select for diffs]
Added Fri Oct 22 14:47:53 2004 UTC (21 years, 6 months ago) by gezelter
Original Path: trunk/src/types/AtomType.hpp
File length: 2097 byte(s)

Adding AtomType

Convenience Links

Links to HEAD: (view) (annotate)

Compare Revisions

This form allows you to request diffs between any two revisions of this file. For each of the two "sides" of the diff, enter a numeric revision.

	Diffs between and
	Type of Diff should be a