Revision 1777 - Directory Listing - [select for diffs]
Modified Thu Aug 9 18:35:09 2012 UTC (13 years, 2 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 (13 years, 2 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 (13 years, 2 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 (13 years, 4 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.