[ViewVC] Log of: OpenMD/branches/development/src/rnemd

Revision 1876 - Directory Listing - [select for diffs]
Modified Fri May 17 17:10:11 2013 UTC (12 years, 2 months ago) by gezelter
Diff to previous 1875 , to selected 1769

Compilation and portability fixes

Revision 1875 - Directory Listing - [select for diffs]
Modified Fri May 17 14:41:42 2013 UTC (12 years, 2 months ago) by gezelter
Diff to previous 1874 , to selected 1769

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 (12 years, 2 months ago) by gezelter
Diff to previous 1868 , to selected 1769

Fixed a bunch of cppcheck warnings.

Revision 1868 - Directory Listing - [select for diffs]
Modified Tue Apr 30 15:56:54 2013 UTC (12 years, 3 months ago) by gezelter
Diff to previous 1867 , to selected 1769

CLearing out some memory leaks

Revision 1867 - Directory Listing - [select for diffs]
Modified Mon Apr 29 17:53:48 2013 UTC (12 years, 3 months ago) by gezelter
Diff to previous 1866 , to selected 1769

Attempt to fix memory leak in Multiple hull calls

Revision 1866 - Directory Listing - [select for diffs]
Modified Thu Apr 25 14:32:56 2013 UTC (12 years, 3 months ago) by gezelter
Diff to previous 1861 , to selected 1769

Fixes for Qhull static build strangeness

Revision 1861 - Directory Listing - [select for diffs]
Modified Tue Apr 9 19:45:54 2013 UTC (12 years, 3 months ago) by gezelter
Diff to previous 1856 , to selected 1769

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

Revision 1856 - Directory Listing - [select for diffs]
Modified Tue Apr 2 21:30:34 2013 UTC (12 years, 4 months ago) by gezelter
Diff to previous 1855 , to selected 1769

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, 4 months ago) by gezelter
Diff to previous 1854 , to selected 1769

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 1854 - Directory Listing - [select for diffs]
Modified Thu Mar 28 20:54:06 2013 UTC (12 years, 4 months ago) by gezelter
Diff to previous 1850 , to selected 1769

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, 5 months ago) by gezelter
Diff to previous 1830 , to selected 1769

Fixed a widespread typo in the license

Revision 1830 - Directory Listing - [select for diffs]
Modified Wed Jan 9 22:02:30 2013 UTC (12 years, 6 months ago) by gezelter
Diff to previous 1813 , to selected 1769

Windows compilation fixes

Revision 1813 - Directory Listing - [select for diffs]
Modified Fri Nov 16 21:39:55 2012 UTC (12 years, 8 months ago) by gezelter
Diff to previous 1812 , to selected 1769

Forgot to merge some important accumulator changes

Revision 1812 - Directory Listing - [select for diffs]
Modified Fri Nov 16 21:18:42 2012 UTC (12 years, 8 months ago) by gezelter
Diff to previous 1808 , to selected 1769

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, 9 months ago) by gezelter
Diff to previous 1803 , to selected 1769

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, 10 months ago) by gezelter
Diff to previous 1777 , to selected 1769

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, 11 months ago) by gezelter
Diff to previous 1776 , to selected 1769

Various fixes for the RNEMD output.

Revision 1776 - Directory Listing - [select for diffs]
Modified Thu Aug 9 15:52:59 2012 UTC (12 years, 11 months ago) by gezelter
Diff to previous 1775 , to selected 1769

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, 11 months ago) by gezelter
Diff to previous 1774 , to selected 1769

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

Revision 1774 - Directory Listing - [select for diffs]
Modified Wed Aug 8 16:03:02 2012 UTC (12 years, 11 months ago) by gezelter
Diff to previous 1773 , to selected 1769

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, 11 months ago) by gezelter
Diff to previous 1769

Adding new RNEMD options and output file format

Revision 1769 - Directory Listing - [selected]
Modified Mon Jul 9 14:15:52 2012 UTC (13 years ago) by gezelter
Diff to previous 1764

Code readability updates.

Revision 1764 - Directory Listing - [select for diffs]
Modified Tue Jul 3 18:32:27 2012 UTC (13 years, 1 month ago) by gezelter
Diff to previous 1731 , to selected 1769

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

Revision 1731 - Directory Listing - [select for diffs]
Added Thu May 31 12:25:30 2012 UTC (13 years, 2 months ago) by gezelter
Diff to selected 1769

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

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