Revision 1683 - (view) (annotate) - [select for diffs]
Modified Wed Feb 29 20:33:01 2012 UTC (13 years, 2 months ago) by jmichalk
File length: 10201 byte(s)
Diff to previous 1665

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)

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
File length: 10566 byte(s)
Diff to previous 1587

Merging changes from old branch into development branch

Fixes

Revision 1583 - (view) (annotate) - [select for diffs]
Modified Thu Jun 16 22:00:08 2011 UTC (13 years, 10 months ago) by gezelter
File length: 10569 byte(s)
Diff to previous 1582

Bug squashing

Well, the potential energy values are still garbage, but the LJ sample
runs.

Revision 1581 - (view) (annotate) - [select for diffs]
Modified Mon Jun 13 22:13:12 2011 UTC (13 years, 10 months ago) by gezelter
File length: 10940 byte(s)
Diff to previous 1579

bug fixes

bug fixes (not done yet)

Revision 1571 - (view) (annotate) - [select for diffs]
Modified Fri May 27 16:45:44 2011 UTC (13 years, 11 months ago) by gezelter
File length: 10606 byte(s)
Diff to previous 1554

Added Atypes to new C++ force decomposition.

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
File length: 10549 byte(s)
Diff to previous 1545

a few more tweaks   We're getting somewhat closer to deleting fortran.

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
File length: 10669 byte(s)
Diff to previous 1505

compiles, builds and runs, but is very slow

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
File length: 10059 byte(s)
Diff to previous 1476

Many changes, and we're not quite done with this phase yet.

fixed some destructor bugs dealing with the TypeContainers

Revision 1473 - (view) (annotate) - [select for diffs]
Modified Tue Jul 20 15:43:00 2010 UTC (14 years, 9 months ago) by gezelter
File length: 13197 byte(s)
Diff to previous 1472

fixing c/fortran bugs

fixing calls

Revision 1471 - (view) (annotate) - [select for diffs]
Added Mon Jul 19 18:59:59 2010 UTC (14 years, 9 months ago) by gezelter
File length: 13013 byte(s)

Added nonbonded directory.  Compiles, links, runs, but gives incorrect
answer.