Revision 1874 - (view) (annotate) - [select for diffs]
Modified Wed May 15 15:09:35 2013 UTC (11 years, 11 months ago) by gezelter
File length: 15332 byte(s)
Diff to previous 1868 , to selected 1504

Fixed a bunch of cppcheck warnings.

CLearing out some memory leaks

Revision 1850 - (view) (annotate) - [select for diffs]
Modified Wed Feb 20 15:39:39 2013 UTC (12 years, 2 months ago) by gezelter
File length: 15157 byte(s)
Diff to previous 1825 , to selected 1504

Fixed a widespread typo in the license 

Deleting unused variables

Revision 1787 - (view) (annotate) - [select for diffs]
Modified Wed Aug 29 18:13:11 2012 UTC (12 years, 8 months ago) by gezelter
File length: 15153 byte(s)
Diff to previous 1755 , to selected 1504

Massive multipole rewrite

general bugfixes

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: 15251 byte(s)
Diff to previous 1665 , to selected 1504

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.

updated copyright notices

Revision 1656 - (view) (annotate) - [select for diffs]
Modified Tue Oct 11 19:46:51 2011 UTC (13 years, 6 months ago) by jmichalk
File length: 15220 byte(s)
Diff to previous 1587 , to selected 1504

First few fixes for explicit interactions.

Fixes

Revision 1586 - (view) (annotate) - [select for diffs]
Modified Tue Jun 21 06:34:35 2011 UTC (13 years, 10 months ago) by gezelter
File length: 14210 byte(s)
Diff to previous 1584 , to selected 1504

bug fixes

bug 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: 13914 byte(s)
Diff to previous 1576 , to selected 1504

Bug squashing

migrating cutoff information from InteractionManager to ForceManager

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: 21120 byte(s)
Diff to previous 1568 , to selected 1504

Added Atypes to new C++ force decomposition.

Added neighbor list check, and migrated skinThickness into
ForceDecomposition (and out of the InteractionManager).  Removed a
spurious inline.

Revision 1554 - (view) (annotate) - [select for diffs]
Modified Sat Apr 30 02:54:02 2011 UTC (14 years ago) by gezelter
File length: 22167 byte(s)
Diff to previous 1550 , to selected 1504

For efficiency, pointers instead of objects will be passed during main
force loop. 

more fortran removal

Revision 1545 - (view) (annotate) - [select for diffs]
Modified Fri Apr 8 21:25:19 2011 UTC (14 years ago) by gezelter
File length: 22181 byte(s)
Diff to previous 1536 , to selected 1504

still busted, but much progress

compiles, builds and runs, but is very slow

Revision 1535 - (view) (annotate) - [select for diffs]
Modified Fri Dec 31 18:31:56 2010 UTC (14 years, 4 months ago) by gezelter
File length: 30181 byte(s)
Diff to previous 1532 , to selected 1504

Well, it compiles and builds, but still has a bus error at runtime.

Added MAW to the C++ side, removed a whole bunch more fortran. 

Revision 1530 - (view) (annotate) - [select for diffs]
Modified Tue Dec 28 21:47:55 2010 UTC (14 years, 4 months ago) by gezelter
File length: 21779 byte(s)
Diff to previous 1529 , to selected 1504

Moved switching functions and force options over to the C++ side, and
removed them from Fortran.

fixes

Revision 1528 - (view) (annotate) - [select for diffs]
Modified Fri Dec 17 20:11:05 2010 UTC (14 years, 4 months ago) by gezelter
File length: 19998 byte(s)
Diff to previous 1505 , to selected 1504

Doesn't build yet, but getting much closer...

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

Revision 1504 - (view) (annotate) - [selected]
Modified Sat Oct 2 20:41:53 2010 UTC (14 years, 7 months ago) by gezelter
File length: 18491 byte(s)
Diff to previous 1502

The C++ side now compiles.  Moving on to doForces

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