Revision 1876 - Directory Listing - [select for diffs]
Modified Fri May 17 17:10:11 2013 UTC (11 years, 11 months ago) by gezelter
Diff to previous 1875

Compilation and portability fixes

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 1868

Fixed a bunch of cppcheck warnings.

CLearing out some memory leaks

Revision 1867 - Directory Listing - [select for diffs]
Modified Mon Apr 29 17:53:48 2013 UTC (12 years ago) by gezelter
Diff to previous 1866

Attempt to fix memory leak in Multiple hull calls

Fixes for Qhull static build strangeness

Revision 1861 - Directory Listing - [select for diffs]
Modified Tue Apr 9 19:45:54 2013 UTC (12 years ago) by gezelter
Diff to previous 1856

Added a Harmonic Torsion Type, fixed some bugs in RNEMD and waterReplacer.

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 1854

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

First pass at angular momentum aware version of VSS-RNEMD.

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 1830

Fixed a widespread typo in the license 

Windows compilation fixes

Revision 1813 - Directory Listing - [select for diffs]
Modified Fri Nov 16 21:39:55 2012 UTC (12 years, 5 months ago) by gezelter
Diff to previous 1812

Forgot to merge some important accumulator changes

MERGE OpenMD trunk changes 1803:1811 into development branch

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

A bug fix in the electric field for the new electrostatic code.  Also comment fixes for Doxygen 

Merging trunk changes back to development branch

Revision 1777 - Directory Listing - [select for diffs]
Modified Thu Aug 9 18:35:09 2012 UTC (12 years, 8 months ago) by gezelter
Diff to previous 1776

Various fixes for the RNEMD output.

Fixes to mdParser to handle vector assignments, fixes for VelocityVerletIntegrator deleting rnemd_ when it doesn't exist yet.

Revision 1775 - Directory Listing - [select for diffs]
Modified Wed Aug 8 18:45:52 2012 UTC (12 years, 8 months ago) by gezelter
Diff to previous 1774

Tracking down a strange bug report.   Fixing some output. Fixing some samples.

Cleaning up RNEMD log, adding XY area to Snapshot

Revision 1773 - Directory Listing - [select for diffs]
Modified Tue Aug 7 18:26:40 2012 UTC (12 years, 8 months ago) by gezelter
Diff to previous 1769

Adding new RNEMD options and output file format

Code readability updates.

Revision 1764 - Directory Listing - [select for diffs]
Modified Tue Jul 3 18:32:27 2012 UTC (12 years, 10 months ago) by gezelter
Diff to previous 1731

Refactored Snapshot and Stats to use the Accumulator classes.  Collected
a number of methods into Thermo that belonged there.

Reorganized source directories, added RNEMD and flucQ blocks for
options parsing.