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: 7061 byte(s)
Diff to previous 1787

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

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: 6788 byte(s)
Diff to previous 1710

Adding more support structure for Fluctuating Charges.

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: 10123 byte(s)
Diff to previous 1532

updated copyright notices

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: 11019 byte(s)
Diff to previous 1489

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

Migrating Sutton-Chen from Fortran over to C++

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: 13587 byte(s)
Diff to previous 1467

Added EAM.  Still segfaults but compiles.

well, it compiles, but still segfaults

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: 15709 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 (16 years, 5 months ago) by gezelter
Original Path: trunk/src/types/AtomType.cpp
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)

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.cpp
File length: 15586 byte(s)
Diff to previous 1282

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

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.cpp
File length: 13676 byte(s)
Diff to previous 1170

Adding infrastructure for Amber force field.

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.cpp
File length: 8945 byte(s)
Diff to previous 963

Changes for Non-Bonded interactions.

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.cpp
File length: 8944 byte(s)
Diff to previous 707

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

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 (21 years ago) by chrisfen
Original Path: trunk/src/types/AtomType.cpp
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...

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 (21 years ago) by chrisfen
Original Path: trunk/src/types/AtomType.cpp
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...

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 (21 years, 2 months ago) by tim
Original Path: trunk/src/types/AtomType.cpp
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;

added splitDipole and fixed quadrupole stuff

Revision 405 - (view) (annotate) - [select for diffs]
Modified Tue Mar 8 21:07:27 2005 UTC (21 years, 2 months ago) by gezelter
Original Path: trunk/src/types/AtomType.cpp
File length: 8544 byte(s)
Diff to previous 378

Electrostatic Unification Project

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.cpp
File length: 8194 byte(s)
Diff to previous 177

merging new_design branch into OOPSE-2.0

fixed duplicate declaration foo

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.cpp
File length: 1473 byte(s)
Diff to previous 145

Making ShapeType into a ShapeAtomType, fixing some isXXX

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, 6 months ago) by chrisfen
Original Path: trunk/src/types/AtomType.cpp
File length: 1567 byte(s)
Diff to previous 139

strDUP not strCOPY

More on AtomType and DirectionalAtomType