ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/nonbonded/EAM.cpp
Revision 1929 - (view) (annotate) - [select for diffs]
Modified Mon Aug 19 13:12:00 2013 UTC (11 years, 8 months ago) by gezelter
File length: 13895 byte(s)
Diff to previous 1928 
Backing out fluc-rho and putting back the Electrostatic fluctuating
charge with coulomb integrals for atoms within a region.
Revision 1928 - (view) (annotate) - [select for diffs]
Modified Sat Aug 17 13:03:17 2013 UTC (11 years, 8 months ago) by gezelter
File length: 15060 byte(s)
Diff to previous 1927 
Fixed a few bugs in EAM and Electrostatic.
Revision 1927 - (view) (annotate) - [select for diffs]
Modified Wed Aug 14 20:19:19 2013 UTC (11 years, 8 months ago) by gezelter
File length: 14816 byte(s)
Diff to previous 1895 
FlucRho/EAM initial commit
Revision 1895 - (view) (annotate) - [select for diffs]
Modified Mon Jul 1 21:09:37 2013 UTC (11 years, 10 months ago) by gezelter
File length: 13349 byte(s)
Diff to previous 1879 
Speed!
Revision 1879 - (view) (annotate) - [select for diffs]
Modified Sun Jun 16 15:15:42 2013 UTC (11 years, 10 months ago) by gezelter
File length: 13343 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 (12 years, 8 months ago) by gezelter
File length: 13342 byte(s)
Diff to previous 1767 
MERGE OpenMD development branch 1465:1781 into trunk
Revision 1767 - (view) (annotate) - [select for diffs]
Modified Fri Jul 6 22:01:58 2012 UTC (12 years, 9 months ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 13342 byte(s)
Diff to previous 1711 
Various fixes required to compile OpenMD with the MS Visual C++ compiler
Revision 1711 - (view) (annotate) - [select for diffs]
Modified Sat May 19 02:58:35 2012 UTC (12 years, 11 months ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 13333 byte(s)
Diff to previous 1710 
Some fixes for DataStorage issues.  Removed outdated zangle stuff that
has been replaced by the more modern restraints.
Revision 1710 - (view) (annotate) - [select for diffs]
Modified Fri May 18 21:44:02 2012 UTC (12 years, 11 months ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 13231 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 (13 years, 5 months ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 15892 byte(s)
Diff to previous 1629 
updated copyright notices
Revision 1629 - (view) (annotate) - [select for diffs]
Modified Wed Sep 14 21:15:17 2011 UTC (13 years, 7 months ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 15826 byte(s)
Diff to previous 1586 
Merging changes from old branch into development branch
Revision 1586 - (view) (annotate) - [select for diffs]
Modified Tue Jun 21 06:34:35 2011 UTC (13 years, 10 months ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 15848 byte(s)
Diff to previous 1582 
bug fixes
Revision 1582 - (view) (annotate) - [select for diffs]
Modified Tue Jun 14 20:41:44 2011 UTC (13 years, 10 months ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 15635 byte(s)
Diff to previous 1575 
Well, the potential energy values are still garbage, but the LJ sample
runs.
Revision 1575 - (view) (annotate) - [select for diffs]
Modified Fri Jun 3 21:39:49 2011 UTC (13 years, 10 months ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 15630 byte(s)
Diff to previous 1571 
more parallel fixes
Revision 1571 - (view) (annotate) - [select for diffs]
Modified Fri May 27 16:45:44 2011 UTC (13 years, 11 months ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 15589 byte(s)
Diff to previous 1554 
Added Atypes to new C++ force decomposition.
Revision 1554 - (view) (annotate) - [select for diffs]
Modified Sat Apr 30 02:54:02 2011 UTC (14 years ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 15600 byte(s)
Diff to previous 1549 
For efficiency, pointers instead of objects will be passed during main
force loop.
Revision 1549 - (view) (annotate) - [select for diffs]
Modified Wed Apr 27 18:38:15 2011 UTC (14 years ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 15465 byte(s)
Diff to previous 1545 
a few more tweaks   We're getting somewhat closer to deleting fortran.
Revision 1545 - (view) (annotate) - [select for diffs]
Modified Fri Apr 8 21:25:19 2011 UTC (14 years ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 15468 byte(s)
Diff to previous 1536 
still busted, but much progress
Revision 1536 - (view) (annotate) - [select for diffs]
Modified Wed Jan 5 14:49:05 2011 UTC (14 years, 3 months ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 15417 byte(s)
Diff to previous 1505 
compiles, builds and runs, but is very slow
Revision 1505 - (view) (annotate) - [select for diffs]
Modified Sun Oct 3 22:18:59 2010 UTC (14 years, 6 months ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 15408 byte(s)
Diff to previous 1502 
Less busted than it was on last check-in, but still won't completely
build.
Revision 1502 - (view) (annotate) - [select for diffs]
Modified Sat Oct 2 19:53:32 2010 UTC (14 years, 7 months ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 14915 byte(s)
Diff to previous 1482 
Many changes, and we're not quite done with this phase yet.
Revision 1482 - (view) (annotate) - [select for diffs]
Modified Tue Jul 27 14:55:15 2010 UTC (14 years, 9 months ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 19112 byte(s)
Diff to previous 1481 
Fixed a bug in EAM.  Seems to work now!
Revision 1481 - (view) (annotate) - [select for diffs]
Modified Mon Jul 26 21:55:18 2010 UTC (14 years, 9 months ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 19085 byte(s)
Diff to previous 1480 
fixed phi mixing
Revision 1480 - (view) (annotate) - [select for diffs]
Modified Mon Jul 26 19:50:53 2010 UTC (14 years, 9 months ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 18792 byte(s)
Diff to previous 1479 
no longer segfaults
Revision 1479 - (view) (annotate) - [select for diffs]
Modified Mon Jul 26 19:00:48 2010 UTC (14 years, 9 months ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 18772 byte(s)
Diff to previous 1478 
Added EAM.  Still segfaults but compiles.
Revision 1478 - (view) (annotate) - [select for diffs]
Added Fri Jul 23 20:45:40 2010 UTC (14 years, 9 months ago) by gezelter
Original Path: branches/development/src/nonbonded/EAM.cpp
File length: 18547 byte(s) 
busticated EAM

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