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Revision 1686 - Directory Listing - [select for diffs]
Modified Sat Mar 10 04:21:44 2012 UTC (13 years, 5 months ago) by gezelter
Diff to previous 1683 
Fixes for compilation under LLVM compiler
Bug-fix for switching function in Gay-Berne
Revision 1683 - Directory Listing - [select for diffs]
Modified Wed Feb 29 20:33:01 2012 UTC (13 years, 5 months ago) by jmichalk
Diff to previous 1674 
LJ.cpp has been updated to more correctly deal with nonbonded interactions
(i.e. explicit interactions where the species are not necessarily defined
to be lennardJones type atoms)
Revision 1674 - Directory Listing - [select for diffs]
Modified Thu Feb 16 15:59:20 2012 UTC (13 years, 6 months ago) by gezelter
Diff to previous 1668 
Fixed two bugs in new Gay-Berne module.  Torque 2 had a sign error, and there
was a subtle mixing bug for dissimilar particles in different orderings.
Revision 1668 - Directory Listing - [select for diffs]
Modified Fri Jan 6 19:03:05 2012 UTC (13 years, 7 months ago) by gezelter
Diff to previous 1665 
Some fixes for CMake and single precision builds
Revision 1665 - Directory Listing - [select for diffs]
Modified Tue Nov 22 20:38:56 2011 UTC (13 years, 9 months ago) by gezelter
Diff to previous 1664 
updated copyright notices
Revision 1664 - Directory Listing - [select for diffs]
Modified Tue Nov 22 14:37:41 2011 UTC (13 years, 9 months ago) by gezelter
Diff to previous 1656 
Modified some of the nonbonded interactions and types
Revision 1656 - Directory Listing - [select for diffs]
Modified Tue Oct 11 19:46:51 2011 UTC (13 years, 10 months ago) by jmichalk
Diff to previous 1653 
First few fixes for explicit interactions.
Revision 1653 - Directory Listing - [select for diffs]
Modified Wed Sep 28 19:37:06 2011 UTC (13 years, 10 months ago) by gezelter
Diff to previous 1647 
fixing compilation bugs on gcc-4.4
Revision 1647 - Directory Listing - [select for diffs]
Modified Mon Sep 26 21:20:11 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1635 
fixing the build system
Revision 1635 - Directory Listing - [select for diffs]
Modified Thu Sep 15 16:24:03 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1629 
cleaning up the development branch a bit, removing cruft, etc.
Revision 1629 - Directory Listing - [select for diffs]
Modified Wed Sep 14 21:15:17 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1624 
Merging changes from old branch into development branch
Revision 1624 - Directory Listing - [select for diffs]
Modified Tue Sep 13 14:12:54 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1616 
Adding RepulsivePower interaction to the development branch
Revision 1616 - Directory Listing - [select for diffs]
Modified Tue Aug 30 15:45:35 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1613 
Fixing cutoff groups
Revision 1613 - Directory Listing - [select for diffs]
Modified Thu Aug 18 20:18:19 2011 UTC (14 years ago) by gezelter
Diff to previous 1601 
Fixed a parallel bug in computing exclude lists.
Added file versioning information in MD files.
Still tracking down cutoff group bugs.
Revision 1601 - Directory Listing - [select for diffs]
Modified Thu Aug 4 20:04:35 2011 UTC (14 years ago) by gezelter
Diff to previous 1587 
removed spurious prints, fixed one bug, but there's still a parallel problem
Revision 1587 - Directory Listing - [select for diffs]
Modified Fri Jul 8 20:25:32 2011 UTC (14 years, 1 month ago) by gezelter
Diff to previous 1586 
Fixes
Revision 1586 - Directory Listing - [select for diffs]
Modified Tue Jun 21 06:34:35 2011 UTC (14 years, 2 months ago) by gezelter
Diff to previous 1584 
bug fixes
Revision 1584 - Directory Listing - [select for diffs]
Modified Fri Jun 17 20:16:35 2011 UTC (14 years, 2 months ago) by gezelter
Diff to previous 1583 
bug fixes.
Revision 1583 - Directory Listing - [select for diffs]
Modified Thu Jun 16 22:00:08 2011 UTC (14 years, 2 months ago) by gezelter
Diff to previous 1582 
Bug squashing
Revision 1582 - Directory Listing - [select for diffs]
Modified Tue Jun 14 20:41:44 2011 UTC (14 years, 2 months ago) by gezelter
Diff to previous 1581 
Well, the potential energy values are still garbage, but the LJ sample
runs.
Revision 1581 - Directory Listing - [select for diffs]
Modified Mon Jun 13 22:13:12 2011 UTC (14 years, 2 months ago) by gezelter
Diff to previous 1579 
bug fixes
Revision 1579 - Directory Listing - [select for diffs]
Modified Thu Jun 9 20:26:29 2011 UTC (14 years, 2 months ago) by gezelter
Diff to previous 1576 
bug fixes (not done yet)
Revision 1576 - Directory Listing - [select for diffs]
Modified Wed Jun 8 16:05:07 2011 UTC (14 years, 2 months ago) by gezelter
Diff to previous 1575 
migrating cutoff information from InteractionManager to ForceManager
Revision 1575 - Directory Listing - [select for diffs]
Modified Fri Jun 3 21:39:49 2011 UTC (14 years, 2 months ago) by gezelter
Diff to previous 1571 
more parallel fixes
Revision 1571 - Directory Listing - [select for diffs]
Modified Fri May 27 16:45:44 2011 UTC (14 years, 3 months ago) by gezelter
Diff to previous 1568 
Added Atypes to new C++ force decomposition.
Revision 1568 - Directory Listing - [select for diffs]
Modified Wed May 25 16:20:37 2011 UTC (14 years, 3 months ago) by gezelter
Diff to previous 1554 
Added neighbor list check, and migrated skinThickness into
ForceDecomposition (and out of the InteractionManager).  Removed a
spurious inline.
Revision 1554 - Directory Listing - [select for diffs]
Modified Sat Apr 30 02:54:02 2011 UTC (14 years, 3 months ago) by gezelter
Diff to previous 1550 
For efficiency, pointers instead of objects will be passed during main
force loop.
Revision 1550 - Directory Listing - [select for diffs]
Modified Wed Apr 27 21:49:59 2011 UTC (14 years, 4 months ago) by gezelter
Diff to previous 1549 
more fortran removal
Revision 1549 - Directory Listing - [select for diffs]
Modified Wed Apr 27 18:38:15 2011 UTC (14 years, 4 months ago) by gezelter
Diff to previous 1545 
a few more tweaks   We're getting somewhat closer to deleting fortran.
Revision 1545 - Directory Listing - [select for diffs]
Modified Fri Apr 8 21:25:19 2011 UTC (14 years, 4 months ago) by gezelter
Diff to previous 1544 
still busted, but much progress
Revision 1544 - Directory Listing - [select for diffs]
Modified Fri Mar 18 19:31:52 2011 UTC (14 years, 5 months ago) by gezelter
Diff to previous 1537 
More modifications for paralllel rewrite
Revision 1537 - Directory Listing - [select for diffs]
Modified Thu Jan 6 17:42:20 2011 UTC (14 years, 7 months ago) by gezelter
Diff to previous 1536 
forgot one method
Revision 1536 - Directory Listing - [select for diffs]
Modified Wed Jan 5 14:49:05 2011 UTC (14 years, 7 months ago) by gezelter
Diff to previous 1535 
compiles, builds and runs, but is very slow
Revision 1535 - Directory Listing - [select for diffs]
Modified Fri Dec 31 18:31:56 2010 UTC (14 years, 7 months ago) by gezelter
Diff to previous 1532 
Well, it compiles and builds, but still has a bus error at runtime.
Revision 1532 - Directory Listing - [select for diffs]
Modified Wed Dec 29 19:59:21 2010 UTC (14 years, 7 months ago) by gezelter
Diff to previous 1530 
Added MAW to the C++ side, removed a whole bunch more fortran.
Revision 1530 - Directory Listing - [select for diffs]
Modified Tue Dec 28 21:47:55 2010 UTC (14 years, 7 months ago) by gezelter
Diff to previous 1529 
Moved switching functions and force options over to the C++ side, and
removed them from Fortran.
Revision 1529 - Directory Listing - [select for diffs]
Modified Mon Dec 27 18:35:59 2010 UTC (14 years, 8 months ago) by gezelter
Diff to previous 1528 
fixes
Revision 1528 - Directory Listing - [select for diffs]
Modified Fri Dec 17 20:11:05 2010 UTC (14 years, 8 months ago) by gezelter
Diff to previous 1505 
Doesn't build yet, but getting much closer...
Revision 1505 - Directory Listing - [select for diffs]
Modified Sun Oct 3 22:18:59 2010 UTC (14 years, 10 months ago) by gezelter
Diff to previous 1504 
Less busted than it was on last check-in, but still won't completely
build.
Revision 1504 - Directory Listing - [select for diffs]
Modified Sat Oct 2 20:41:53 2010 UTC (14 years, 10 months ago) by gezelter
Diff to previous 1502 
The C++ side now compiles.  Moving on to doForces
Revision 1502 - Directory Listing - [select for diffs]
Modified Sat Oct 2 19:53:32 2010 UTC (14 years, 10 months ago) by gezelter
Diff to previous 1501 
Many changes, and we're not quite done with this phase yet.
Revision 1501 - Directory Listing - [select for diffs]
Modified Wed Sep 15 19:32:10 2010 UTC (14 years, 11 months ago) by gezelter
Diff to previous 1489 
Starting migration of Morse to C++
Revision 1489 - Directory Listing - [select for diffs]
Modified Tue Aug 10 18:34:59 2010 UTC (15 years ago) by gezelter
Diff to previous 1485 
Migrating Sutton-Chen from Fortran over to C++
Revision 1485 - Directory Listing - [select for diffs]
Modified Wed Jul 28 19:52:00 2010 UTC (15 years, 1 month ago) by gezelter
Diff to previous 1483 
Converting Sticky over to C++
Revision 1483 - Directory Listing - [select for diffs]
Modified Tue Jul 27 21:17:31 2010 UTC (15 years, 1 month ago) by gezelter
Diff to previous 1482 
Added GB module to the C++ side, got rid of it on the fortran side.
Revision 1482 - Directory Listing - [select for diffs]
Modified Tue Jul 27 14:55:15 2010 UTC (15 years, 1 month ago) by gezelter
Diff to previous 1481 
Fixed a bug in EAM.  Seems to work now!
Revision 1481 - Directory Listing - [select for diffs]
Modified Mon Jul 26 21:55:18 2010 UTC (15 years, 1 month ago) by gezelter
Diff to previous 1480 
fixed phi mixing
Revision 1480 - Directory Listing - [select for diffs]
Modified Mon Jul 26 19:50:53 2010 UTC (15 years, 1 month ago) by gezelter
Diff to previous 1479 
no longer segfaults
Revision 1479 - Directory Listing - [select for diffs]
Modified Mon Jul 26 19:00:48 2010 UTC (15 years, 1 month ago) by gezelter
Diff to previous 1478 
Added EAM.  Still segfaults but compiles.
Revision 1478 - Directory Listing - [select for diffs]
Modified Fri Jul 23 20:45:40 2010 UTC (15 years, 1 month ago) by gezelter
Diff to previous 1476 
busticated EAM
Revision 1476 - Directory Listing - [select for diffs]
Modified Wed Jul 21 18:31:05 2010 UTC (15 years, 1 month ago) by gezelter
Diff to previous 1473 
fixed some destructor bugs dealing with the TypeContainers
Revision 1473 - Directory Listing - [select for diffs]
Modified Tue Jul 20 15:43:00 2010 UTC (15 years, 1 month ago) by gezelter
Diff to previous 1472 
fixing c/fortran bugs
Revision 1472 - Directory Listing - [select for diffs]
Modified Mon Jul 19 20:42:55 2010 UTC (15 years, 1 month ago) by gezelter
Diff to previous 1471 
fixing calls
Revision 1471 - Directory Listing - [select for diffs]
Added Mon Jul 19 18:59:59 2010 UTC (15 years, 1 month ago) by gezelter 
Added nonbonded directory.  Compiles, links, runs, but gives incorrect
answer.

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