Various fixes for the RNEMD output.

Revision 1767 - (view) (annotate) - [select for diffs]
Modified Fri Jul 6 22:01:58 2012 UTC (12 years, 9 months ago) by gezelter
File length: 20337 byte(s)
Diff to previous 1764

Various fixes required to compile OpenMD with the MS Visual C++ compiler

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

Revision 1760 - (view) (annotate) - [select for diffs]
Modified Thu Jun 21 19:26:46 2012 UTC (12 years, 10 months ago) by gezelter
File length: 11705 byte(s)
Diff to previous 1723

Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData

Bug fixes for heat flux import

Revision 1710 - (view) (annotate) - [select for diffs]
Added Fri May 18 21:44:02 2012 UTC (12 years, 11 months ago) by gezelter
File length: 9893 byte(s)

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.