[ViewVC] Log of: OpenMD/branches/development/src/UseTheForce/EAM

Revision 1710 - (view) (annotate) - [select for diffs]
Modified Fri May 18 21:44:02 2012 UTC (12 years, 11 months ago) by gezelter
File length: 5167 byte(s)
Diff to previous 1703

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 1703 - (view) (annotate) - [select for diffs]
Modified Mon Apr 23 21:08:08 2012 UTC (13 years ago) by jmichalk
File length: 5170 byte(s)
Diff to previous 1665

JRM Added additional section parsers to EAM_FF.cpp

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: 4537 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 (14 years, 4 months ago) by gezelter
File length: 4471 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 (14 years, 6 months ago) by gezelter
File length: 4504 byte(s)
Diff to previous 1485

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

Revision 1485 - (view) (annotate) - [select for diffs]
Modified Wed Jul 28 19:52:00 2010 UTC (14 years, 9 months ago) by gezelter
File length: 4621 byte(s)
Diff to previous 1479

Converting Sticky over to C++

Revision 1479 - (view) (annotate) - [select for diffs]
Modified Mon Jul 26 19:00:48 2010 UTC (14 years, 9 months ago) by gezelter
File length: 4672 byte(s)
Diff to previous 1467

Added EAM.  Still segfaults but compiles.

Revision 1467 - (view) (annotate) - [select for diffs]
Modified Sat Jul 17 15:33:03 2010 UTC (14 years, 9 months ago) by gezelter
File length: 4900 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: 4947 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 (14 years, 11 months ago) by gezelter
Original Path: trunk/src/UseTheForce/EAM_FF.cpp
File length: 4947 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/UseTheForce/EAM_FF.cpp
File length: 4947 byte(s)
Diff to previous 1282

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

Revision 1282 - (view) (annotate) - [select for diffs]
Modified Wed Jul 30 18:11:19 2008 UTC (16 years, 9 months ago) by gezelter
Original Path: trunk/src/UseTheForce/EAM_FF.cpp
File length: 4902 byte(s)
Diff to previous 1280

Many fixes

Revision 1280 - (view) (annotate) - [select for diffs]
Modified Wed Jul 16 02:07:09 2008 UTC (16 years, 9 months ago) by gezelter
Original Path: trunk/src/UseTheForce/EAM_FF.cpp
File length: 6108 byte(s)
Diff to previous 963

All your base are belong to us!

Revision 963 - (view) (annotate) - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (18 years, 11 months ago) by tim
Original Path: trunk/src/UseTheForce/EAM_FF.cpp
File length: 5664 byte(s)
Diff to previous 802

Adding single precision capabilities to c++ side

Revision 802 - (view) (annotate) - [select for diffs]
Modified Thu Dec 8 15:38:49 2005 UTC (19 years, 4 months ago) by chuckv
Original Path: trunk/src/UseTheForce/EAM_FF.cpp
File length: 5660 byte(s)
Diff to previous 801

Wow thats alot o' files. Now passing forceFieldOptions to all of the parsers.

Revision 801 - (view) (annotate) - [select for diffs]
Modified Wed Dec 7 23:10:53 2005 UTC (19 years, 4 months ago) by chuckv
Original Path: trunk/src/UseTheForce/EAM_FF.cpp
File length: 5630 byte(s)
Diff to previous 507

This should really break things.... Started adding support for ForceOptions to section parsers.

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/UseTheForce/EAM_FF.cpp
File length: 5924 byte(s)
Diff to previous 472

xemacs has been drafted to perform our indentation services

Revision 472 - (view) (annotate) - [select for diffs]
Modified Tue Apr 12 17:12:27 2005 UTC (20 years ago) by chuckv
Original Path: trunk/src/UseTheForce/EAM_FF.cpp
File length: 6131 byte(s)
Diff to previous 425

Updates to deallocate object in fortran.

Revision 425 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 20:28:17 2005 UTC (20 years, 1 month ago) by tim
Original Path: trunk/src/UseTheForce/EAM_FF.cpp
File length: 5903 byte(s)
Diff to previous 414

using map to replace link list

Revision 414 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 17:58:33 2005 UTC (20 years, 1 month ago) by tim
Original Path: trunk/src/UseTheForce/EAM_FF.cpp
File length: 5886 byte(s)
Diff to previous 409

fix a bug in SectionParser (lineNo is not updated)

Revision 409 - (view) (annotate) - [select for diffs]
Modified Wed Mar 9 14:25:51 2005 UTC (20 years, 1 month ago) by gezelter
Original Path: trunk/src/UseTheForce/EAM_FF.cpp
File length: 5789 byte(s)
Diff to previous 366

removed #include lines for outdated charge and dipole interfaces

Revision 366 - (view) (annotate) - [select for diffs]
Added Fri Feb 18 15:58:22 2005 UTC (20 years, 2 months ago) by gezelter
Original Path: trunk/src/UseTheForce/EAM_FF.cpp
File length: 5891 byte(s)

corrected filename collision for EAM on operating systems which are
not case sensitive (aka Mac OS X)

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