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root/OpenMD/branches/development/src/flucq/FluctuatingChargePropagator.cpp
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: 4750 byte(s)
Diff to previous 1756 
Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData
Revision 1756 - (view) (annotate) - [select for diffs]
Modified Mon Jun 18 18:23:20 2012 UTC (12 years, 10 months ago) by gezelter
File length: 5100 byte(s)
Diff to previous 1754 
bugfixes for self interactions (particularly in parallel)
Revision 1754 - (view) (annotate) - [select for diffs]
Modified Wed Jun 13 14:45:59 2012 UTC (12 years, 10 months ago) by jmichalk
File length: 4758 byte(s)
Diff to previous 1748 
Removed a line in Integrator.cpp where the forceMan_ was being initialized too early. Additionally, added a dummy value for rCut_ in ForceManager.cpp::setupCutoffs. JRM
Revision 1748 - (view) (annotate) - [select for diffs]
Modified Wed Jun 6 19:54:09 2012 UTC (12 years, 10 months ago) by gezelter
File length: 4256 byte(s)
Diff to previous 1739 
fixing some bugs, adding Shake
Revision 1739 - (view) (annotate) - [select for diffs]
Modified Tue Jun 5 17:58:55 2012 UTC (12 years, 10 months ago) by gezelter
File length: 4194 byte(s)
Diff to previous 1731 
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
File length: 4054 byte(s)
Copied from: branches/development/src/integrators/FluctuatingChargePropagator.cpp revision 1730
Diff to previous 1718 
Reorganized source directories, added RNEMD and flucQ blocks for
options parsing.
Revision 1718 - (view) (annotate) - [select for diffs]
Added Thu May 24 01:29:59 2012 UTC (12 years, 11 months ago) by gezelter
Original Path: branches/development/src/integrators/FluctuatingChargePropagator.cpp
File length: 4054 byte(s) 
Adding fluctuating charges, still a work in progress

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