Revision 1913 - (view) (annotate) - [select for diffs]
Modified Wed Jul 24 20:00:51 2013 UTC (11 years, 9 months ago) by jmichalk
File length: 3159 byte(s)
Diff to previous 1879

Fixed some bugs in the flucQ constraints.

MERGE OpenMD development 1783:1878 into trunk

Revision 1782 - (view) (annotate) - [select for diffs]
Modified Wed Aug 22 02:28:28 2012 UTC (12 years, 8 months ago) by gezelter
File length: 3137 byte(s)
Diff to previous 1761

MERGE OpenMD development branch 1465:1781 into trunk

fixes for fluctuating charges

Revision 1760 - (view) (annotate) - [select for diffs]
Modified Thu Jun 21 19:26:46 2012 UTC (12 years, 10 months ago) by gezelter
Original Path: branches/development/src/flucq/FluctuatingChargePropagator.hpp
File length: 3108 byte(s)
Diff to previous 1739

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

Moved the propagators for flucq

Revision 1731 - (view) (annotate) - [select for diffs]
Modified Thu May 31 12:25:30 2012 UTC (12 years, 11 months ago) by gezelter
Original Path: branches/development/src/flucq/FluctuatingChargePropagator.hpp
File length: 2914 byte(s)
Copied from: branches/development/src/integrators/FluctuatingChargePropagator.hpp revision 1730
Diff to previous 1718

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

Adding fluctuating charges, still a work in progress

Revision 1716 - (view) (annotate) - [select for diffs]
Added Wed May 23 01:26:15 2012 UTC (12 years, 11 months ago) by gezelter
Original Path: branches/development/src/integrators/FluctuatingChargePropagator.hpp
File length: 2879 byte(s)

Adding the propagators for FlucQ