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root/OpenMD/trunk/src/types/AtomType.cpp
Revision 1879 - (view) (annotate) - [select for diffs]
Modified Sun Jun 16 15:15:42 2013 UTC (12 years, 7 months ago) by gezelter
File length: 7062 byte(s)
Diff to previous 1782 
MERGE OpenMD development 1783:1878 into trunk
Revision 1782 - (view) (annotate) - [select for diffs]
Modified Wed Aug 22 02:28:28 2012 UTC (13 years, 5 months ago) by gezelter
File length: 6788 byte(s)
Diff to previous 1442 
MERGE OpenMD development branch 1465:1781 into trunk
Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (15 years, 8 months ago) by gezelter
File length: 15709 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, 2 months ago) by gezelter
File length: 15709 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, 3 months ago) by chuckv
File length: 15650 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, 4 months ago) by chuckv
File length: 15586 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, 5 months ago) by gezelter
File length: 15580 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, 6 months ago) by gezelter
File length: 13676 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, 6 months ago) by gezelter
File length: 8996 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, 6 months ago) by chuckv
File length: 8945 byte(s)
Diff to previous 963 
Changes for Non-Bonded interactions.
Revision 963 - (view) (annotate) - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (19 years, 8 months ago) by tim
File length: 8946 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, 2 months ago) by chuckv
File length: 8944 byte(s)
Diff to previous 707 
Sutton-Chen almost done. Just need to fix do_forces to use Sutton-Chen.
Revision 707 - (view) (annotate) - [select for diffs]
Modified Tue Nov 1 23:32:25 2005 UTC (20 years, 2 months ago) by chuckv
File length: 7756 byte(s)
Diff to previous 523 
Added suppport to atypes for MEAM and sutton-chen
Revision 523 - (view) (annotate) - [select for diffs]
Modified Thu May 5 14:47:35 2005 UTC (20 years, 8 months ago) by chrisfen
File length: 7708 byte(s)
Diff to previous 517 
OOPSE setup for TAP water.  It's not parametrized, but OOPSE will now let me run it...
Revision 517 - (view) (annotate) - [select for diffs]
Modified Wed Apr 27 20:14:03 2005 UTC (20 years, 9 months ago) by chrisfen
File length: 7624 byte(s)
Diff to previous 514 
Got rid of write statements and am closer to a working shapes
Revision 514 - (view) (annotate) - [select for diffs]
Modified Thu Apr 21 14:12:19 2005 UTC (20 years, 9 months ago) by chrisfen
File length: 7707 byte(s)
Diff to previous 507 
Shapes is limping along with a array bounds overwrite (I think...). At least the parser loads the forcefield fine...
Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years, 9 months ago) by gezelter
File length: 7620 byte(s)
Diff to previous 413 
xemacs has been drafted to perform our indentation services
Revision 413 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 17:30:29 2005 UTC (20 years, 10 months ago) by tim
File length: 8571 byte(s)
Diff to previous 410 
adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;
Revision 410 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 14:26:15 2005 UTC (20 years, 10 months ago) by gezelter
File length: 8543 byte(s)
Diff to previous 405 
added splitDipole and fixed quadrupole stuff
Revision 405 - (view) (annotate) - [select for diffs]
Modified Tue Mar 8 21:07:27 2005 UTC (20 years, 10 months ago) by gezelter
File length: 8544 byte(s)
Diff to previous 378 
Electrostatic Unification Project
Revision 378 - (view) (annotate) - [select for diffs]
Modified Fri Feb 25 21:22:00 2005 UTC (20 years, 11 months ago) by tim
File length: 8213 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 ago) by gezelter
File length: 8194 byte(s)
Diff to previous 177 
merging new_design branch into OOPSE-2.0
Revision 177 - (view) (annotate) - [select for diffs]
Modified Thu Oct 28 16:56:20 2004 UTC (21 years, 3 months ago) by gezelter
File length: 1496 byte(s)
Diff to previous 159 
fixed duplicate declaration foo
Revision 159 - (view) (annotate) - [select for diffs]
Modified Tue Oct 26 22:25:19 2004 UTC (21 years, 3 months ago) by gezelter
File length: 1473 byte(s)
Diff to previous 145 
Making ShapeType into a ShapeAtomType, fixing some isXXX
Revision 145 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 23:00:06 2004 UTC (21 years, 3 months ago) by chrisfen
File length: 1568 byte(s)
Diff to previous 144 
Dear god!  It runs and conserves energy!
Revision 144 - (view) (annotate) - [select for diffs]
Modified Fri Oct 22 22:54:15 2004 UTC (21 years, 3 months ago) by chrisfen
File length: 1567 byte(s)
Diff to previous 139 
strDUP not strCOPY
Revision 139 - (view) (annotate) - [select for diffs]
Added Fri Oct 22 20:21:36 2004 UTC (21 years, 3 months ago) by gezelter
File length: 1568 byte(s) 
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