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Revision 1875 - Directory Listing - [select for diffs]
Modified Fri May 17 14:41:42 2013 UTC (11 years, 11 months ago) by gezelter
Diff to previous 1874 , to selected 1539
Fixed a bunch of stylistic and performance issues discovered via cppcheck.

Revision 1874 - Directory Listing - [select for diffs]
Modified Wed May 15 15:09:35 2013 UTC (11 years, 11 months ago) by gezelter
Diff to previous 1858 , to selected 1539
Fixed a bunch of cppcheck warnings.

Revision 1858 - Directory Listing - [select for diffs]
Modified Wed Apr 3 21:32:13 2013 UTC (12 years, 1 month ago) by gezelter
Diff to previous 1856 , to selected 1539
Some bugfixes for cell-linked-list-style neighbor lists when the simulation
doesn't use periodic boundary conditions.   Cleaning up some of the Hull
stuff while we're in there.

Revision 1856 - Directory Listing - [select for diffs]
Modified Tue Apr 2 21:30:34 2013 UTC (12 years, 1 month ago) by gezelter
Diff to previous 1855 , to selected 1539
Bug fixes to get new parallel decomposition methods working without periodic boundary conditions.  
Updated volume in stats file correctly.
LangevinHull fixes for low viscosity values.

Revision 1855 - Directory Listing - [select for diffs]
Modified Tue Apr 2 18:31:51 2013 UTC (12 years, 1 month ago) by gezelter
Diff to previous 1850 , to selected 1539
Fixed a bunch of bugs in CubicSpline debug sections, ForceMatrix Decomp 
computing costhetas for non-existent rotation matrices, Hidden accumulator counts, and SMIPD non-coupling

Revision 1850 - Directory Listing - [select for diffs]
Modified Wed Feb 20 15:39:39 2013 UTC (12 years, 2 months ago) by gezelter
Diff to previous 1849 , to selected 1539
Fixed a widespread typo in the license 

Revision 1849 - Directory Listing - [select for diffs]
Modified Wed Feb 20 13:52:51 2013 UTC (12 years, 2 months ago) by gezelter
Diff to previous 1826 , to selected 1539
Performance increases for cubic spline.
Bug fix for electric field in parallel.
Cleaned up globals.
Started adding infrastructure for long range corrections.

Revision 1826 - Directory Listing - [select for diffs]
Modified Wed Jan 9 19:41:48 2013 UTC (12 years, 3 months ago) by gezelter
Diff to previous 1825 , to selected 1539
Cleaning more cruft and unused variables.

Revision 1825 - Directory Listing - [select for diffs]
Modified Wed Jan 9 19:27:52 2013 UTC (12 years, 3 months ago) by gezelter
Diff to previous 1821 , to selected 1539
Deleting unused variables

Revision 1821 - Directory Listing - [select for diffs]
Modified Mon Jan 7 20:05:43 2013 UTC (12 years, 3 months ago) by gezelter
Diff to previous 1808 , to selected 1539
Fixed a bug in Matrix-Matrix cross product

Revision 1808 - Directory Listing - [select for diffs]
Modified Mon Oct 22 20:42:10 2012 UTC (12 years, 6 months ago) by gezelter
Diff to previous 1803 , to selected 1539
A bug fix in the electric field for the new electrostatic code.  Also comment fixes for Doxygen 

Revision 1803 - Directory Listing - [select for diffs]
Modified Wed Oct 3 14:20:07 2012 UTC (12 years, 7 months ago) by gezelter
Diff to previous 1798 , to selected 1539
Merging trunk changes back to development branch

Revision 1798 - Directory Listing - [select for diffs]
Modified Thu Sep 13 14:10:11 2012 UTC (12 years, 7 months ago) by gezelter
Diff to previous 1787 , to selected 1539
Merged trunk changes into the development branch

Revision 1787 - Directory Listing - [select for diffs]
Modified Wed Aug 29 18:13:11 2012 UTC (12 years, 8 months ago) by gezelter
Diff to previous 1772 , to selected 1539
Massive multipole rewrite

Revision 1772 - Directory Listing - [select for diffs]
Modified Tue Jul 31 14:00:05 2012 UTC (12 years, 9 months ago) by gezelter
Diff to previous 1771 , to selected 1539
Added the same fix for parallel runs

Revision 1771 - Directory Listing - [select for diffs]
Modified Fri Jul 27 17:34:10 2012 UTC (12 years, 9 months ago) by gezelter
Diff to previous 1767 , to selected 1539
Fixing a neighborlist bug

Revision 1767 - Directory Listing - [select for diffs]
Modified Fri Jul 6 22:01:58 2012 UTC (12 years, 10 months ago) by gezelter
Diff to previous 1761 , to selected 1539
Various fixes required to compile OpenMD with the MS Visual C++ compiler

Revision 1761 - Directory Listing - [select for diffs]
Modified Fri Jun 22 20:01:37 2012 UTC (12 years, 10 months ago) by gezelter
Diff to previous 1760 , to selected 1539
fixes for fluctuating charges

Revision 1760 - Directory Listing - [select for diffs]
Modified Thu Jun 21 19:26:46 2012 UTC (12 years, 10 months ago) by gezelter
Diff to previous 1756 , to selected 1539
Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData

Revision 1756 - Directory Listing - [select for diffs]
Modified Mon Jun 18 18:23:20 2012 UTC (12 years, 10 months ago) by gezelter
Diff to previous 1755 , to selected 1539
bugfixes for self interactions (particularly in parallel)

Revision 1755 - Directory Listing - [select for diffs]
Modified Thu Jun 14 01:58:35 2012 UTC (12 years, 10 months ago) by gezelter
Diff to previous 1744 , to selected 1539
general bugfixes

Revision 1744 - Directory Listing - [select for diffs]
Modified Tue Jun 5 18:07:08 2012 UTC (12 years, 11 months ago) by gezelter
Diff to previous 1736 , to selected 1539
Fixes for minimization

Revision 1736 - Directory Listing - [select for diffs]
Modified Tue Jun 5 17:51:31 2012 UTC (12 years, 11 months ago) by jmichalk
Diff to previous 1723 , to selected 1539
Fixed fluctuating charge forces

Revision 1723 - Directory Listing - [select for diffs]
Modified Thu May 24 20:59:54 2012 UTC (12 years, 11 months ago) by gezelter
Diff to previous 1721 , to selected 1539
Bug fixes for heat flux import

Revision 1721 - Directory Listing - [select for diffs]
Modified Thu May 24 14:17:42 2012 UTC (12 years, 11 months ago) by gezelter
Diff to previous 1713 , to selected 1539
Fixing some bugs

Revision 1713 - Directory Listing - [select for diffs]
Modified Sat May 19 14:21:02 2012 UTC (12 years, 11 months ago) by gezelter
Diff to previous 1706 , to selected 1539
adding communication and parallel support for fluctuating charges and
polarizability 

Revision 1706 - Directory Listing - [select for diffs]
Modified Fri Apr 27 20:44:16 2012 UTC (13 years ago) by gezelter
Diff to previous 1688 , to selected 1539
fixed an initialization bug in Dump2XYZ

Revision 1688 - Directory Listing - [select for diffs]
Modified Wed Mar 14 17:56:01 2012 UTC (13 years, 1 month ago) by gezelter
Diff to previous 1668 , to selected 1539
Bug fixes for GB.  Now using strength parameter mixing ideas from Wu
et al. [J. Chem. Phys. 135, 155104 (2011)].  This helps get the
dissimilar particle mixing behavior to be the same whichever order the
two particles come in.  This does require that the force field file to
specify explicitly the values for epsilon in the cross (X), side-by-side (S), 
and end-to-end (E) configurations.


Revision 1668 - Directory Listing - [select for diffs]
Modified Fri Jan 6 19:03:05 2012 UTC (13 years, 4 months ago) by gezelter
Diff to previous 1665 , to selected 1539
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, 5 months ago) by gezelter
Diff to previous 1647 , to selected 1539
updated copyright notices

Revision 1647 - Directory Listing - [select for diffs]
Modified Mon Sep 26 21:20:11 2011 UTC (13 years, 7 months ago) by gezelter
Diff to previous 1629 , to selected 1539
fixing the build system

Revision 1629 - Directory Listing - [select for diffs]
Modified Wed Sep 14 21:15:17 2011 UTC (13 years, 7 months ago) by gezelter
Diff to previous 1616 , to selected 1539
Merging changes from old branch into development branch

Revision 1616 - Directory Listing - [select for diffs]
Modified Tue Aug 30 15:45:35 2011 UTC (13 years, 8 months ago) by gezelter
Diff to previous 1613 , to selected 1539
Fixing cutoff groups

Revision 1613 - Directory Listing - [select for diffs]
Modified Thu Aug 18 20:18:19 2011 UTC (13 years, 8 months ago) by gezelter
Diff to previous 1612 , to selected 1539
Fixed a parallel bug in computing exclude lists.
Added file versioning information in MD files.
Still tracking down cutoff group bugs.

Revision 1612 - Directory Listing - [select for diffs]
Modified Fri Aug 12 19:59:56 2011 UTC (13 years, 8 months ago) by gezelter
Diff to previous 1601 , to selected 1539
fixed an offset bug causing problems in MPI

Revision 1601 - Directory Listing - [select for diffs]
Modified Thu Aug 4 20:04:35 2011 UTC (13 years, 9 months ago) by gezelter
Diff to previous 1593 , to selected 1539
removed spurious prints, fixed one bug, but there's still a parallel problem

Revision 1593 - Directory Listing - [select for diffs]
Modified Fri Jul 15 21:35:14 2011 UTC (13 years, 9 months ago) by gezelter
Diff to previous 1592 , to selected 1539
test

Revision 1592 - Directory Listing - [select for diffs]
Modified Tue Jul 12 20:33:14 2011 UTC (13 years, 9 months ago) by gezelter
Diff to previous 1591 , to selected 1539
test

Revision 1591 - Directory Listing - [select for diffs]
Modified Tue Jul 12 15:25:07 2011 UTC (13 years, 9 months ago) by gezelter
Diff to previous 1590 , to selected 1539
Efficiency fix

Revision 1590 - Directory Listing - [select for diffs]
Modified Mon Jul 11 01:39:49 2011 UTC (13 years, 9 months ago) by gezelter
Diff to previous 1589 , to selected 1539
more bug fixes

Revision 1589 - Directory Listing - [select for diffs]
Modified Sun Jul 10 16:05:34 2011 UTC (13 years, 9 months ago) by gezelter
Diff to previous 1588 , to selected 1539
Fixing some parallel bugs

Revision 1588 - Directory Listing - [select for diffs]
Modified Sat Jul 9 15:05:59 2011 UTC (13 years, 9 months ago) by gezelter
Diff to previous 1587 , to selected 1539
fixed one MPI bug, working on another

Revision 1587 - Directory Listing - [select for diffs]
Modified Fri Jul 8 20:25:32 2011 UTC (13 years, 9 months ago) by gezelter
Diff to previous 1586 , to selected 1539
Fixes

Revision 1586 - Directory Listing - [select for diffs]
Modified Tue Jun 21 06:34:35 2011 UTC (13 years, 10 months ago) by gezelter
Diff to previous 1584 , to selected 1539
bug fixes

Revision 1584 - Directory Listing - [select for diffs]
Modified Fri Jun 17 20:16:35 2011 UTC (13 years, 10 months ago) by gezelter
Diff to previous 1583 , to selected 1539
bug fixes.

Revision 1583 - Directory Listing - [select for diffs]
Modified Thu Jun 16 22:00:08 2011 UTC (13 years, 10 months ago) by gezelter
Diff to previous 1582 , to selected 1539
Bug squashing

Revision 1582 - Directory Listing - [select for diffs]
Modified Tue Jun 14 20:41:44 2011 UTC (13 years, 10 months ago) by gezelter
Diff to previous 1581 , to selected 1539
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 (13 years, 10 months ago) by gezelter
Diff to previous 1579 , to selected 1539
bug fixes

Revision 1579 - Directory Listing - [select for diffs]
Modified Thu Jun 9 20:26:29 2011 UTC (13 years, 10 months ago) by gezelter
Diff to previous 1577 , to selected 1539
bug fixes (not done yet)

Revision 1577 - Directory Listing - [select for diffs]
Modified Wed Jun 8 20:26:56 2011 UTC (13 years, 10 months ago) by gezelter
Diff to previous 1576 , to selected 1539
bug fixes

Revision 1576 - Directory Listing - [select for diffs]
Modified Wed Jun 8 16:05:07 2011 UTC (13 years, 10 months ago) by gezelter
Diff to previous 1575 , to selected 1539
migrating cutoff information from InteractionManager to ForceManager

Revision 1575 - Directory Listing - [select for diffs]
Modified Fri Jun 3 21:39:49 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1572 , to selected 1539
more parallel fixes

Revision 1572 - Directory Listing - [select for diffs]
Modified Sun May 29 01:49:17 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1571 , to selected 1539
Forgot some headers and other files

Revision 1571 - Directory Listing - [select for diffs]
Modified Fri May 27 16:45:44 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1570 , to selected 1539
Added Atypes to new C++ force decomposition.

Revision 1570 - Directory Listing - [select for diffs]
Modified Thu May 26 21:56:04 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1569 , to selected 1539
More fixes

Revision 1569 - Directory Listing - [select for diffs]
Modified Thu May 26 13:55:04 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1568 , to selected 1539
A few more fixes for the missing routines

Revision 1568 - Directory Listing - [select for diffs]
Modified Wed May 25 16:20:37 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1567 , to selected 1539
Added neighbor list check, and migrated skinThickness into
ForceDecomposition (and out of the InteractionManager).  Removed a
spurious inline.


Revision 1567 - Directory Listing - [select for diffs]
Modified Tue May 24 21:24:45 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1562 , to selected 1539
Fixed some busted stuff in buildNeighborList

Revision 1562 - Directory Listing - [select for diffs]
Modified Thu May 12 17:00:14 2011 UTC (13 years, 11 months ago) by gezelter
Diff to previous 1554 , to selected 1539
changes for cell linked lists

Revision 1554 - Directory Listing - [select for diffs]
Modified Sat Apr 30 02:54:02 2011 UTC (14 years ago) by gezelter
Diff to previous 1551 , to selected 1539
For efficiency, pointers instead of objects will be passed during main
force loop. 


Revision 1551 - Directory Listing - [select for diffs]
Modified Thu Apr 28 18:38:21 2011 UTC (14 years ago) by gezelter
Diff to previous 1549 , to selected 1539
More changes for parallel

Revision 1549 - Directory Listing - [select for diffs]
Modified Wed Apr 27 18:38:15 2011 UTC (14 years ago) by gezelter
Diff to previous 1547 , to selected 1539
a few more tweaks   We're getting somewhat closer to deleting fortran.

Revision 1547 - Directory Listing - [select for diffs]
Modified Mon Apr 11 18:44:16 2011 UTC (14 years ago) by gezelter
Diff to previous 1546 , to selected 1539
more minor changes to help build

Revision 1546 - Directory Listing - [select for diffs]
Modified Sun Apr 10 15:16:39 2011 UTC (14 years ago) by gezelter
Diff to previous 1545 , to selected 1539
closer to a real force loop

Revision 1545 - Directory Listing - [select for diffs]
Modified Fri Apr 8 21:25:19 2011 UTC (14 years ago) by gezelter
Diff to previous 1544 , to selected 1539
still busted, but much progress

Revision 1544 - Directory Listing - [select for diffs]
Modified Fri Mar 18 19:31:52 2011 UTC (14 years, 1 month ago) by gezelter
Diff to previous 1541 , to selected 1539
More modifications for paralllel rewrite

Revision 1541 - Directory Listing - [select for diffs]
Modified Fri Feb 4 20:04:56 2011 UTC (14 years, 3 months ago) by gezelter
Diff to previous 1540 , to selected 1539
working on communicators

Revision 1540 - Directory Listing - [select for diffs]
Modified Mon Jan 17 21:34:36 2011 UTC (14 years, 3 months ago) by gezelter
Diff to previous 1539
changes for new parallel architecture

Revision 1539 - Directory Listing - [selected]
Modified Fri Jan 14 22:31:31 2011 UTC (14 years, 3 months ago) by gezelter
Diff to previous 1538
Starting a Parallel architecture

Revision 1538 - Directory Listing - [select for diffs]
Added Tue Jan 11 18:58:12 2011 UTC (14 years, 3 months ago) by chuckv
Diff to selected 1539
Adding parallel classes...

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