[ViewVC] Log of: group/trunk/OOPSE-4/src/integrators/RNEMD.hpp

Revision 3541 - (view) (annotate) - [select for diffs]
Modified Mon Oct 19 13:39:04 2009 UTC (14 years, 10 months ago) by skuang
File length: 4147 byte(s)
Diff to previous 3510

added RNEMD scaling

Revision 3510 - (view) (annotate) - [select for diffs]
Modified Thu May 21 18:56:45 2009 UTC (15 years, 3 months ago) by gezelter
File length: 3409 byte(s)
Diff to previous 3498

Parallel version of RNEMD

Revision 3498 - (view) (annotate) - [select for diffs]
Modified Thu Apr 23 18:22:30 2009 UTC (15 years, 4 months ago) by skuang
File length: 3475 byte(s)
Diff to previous 3491

Added a getStatus routine to check the temperatures

Revision 3491 - (view) (annotate) - [select for diffs]
Modified Thu Apr 2 17:25:59 2009 UTC (15 years, 5 months ago) by gezelter
File length: 3386 byte(s)
Diff to previous 3490

fixed some bugs, added some logic to sort stuntdoubles

Revision 3490 - (view) (annotate) - [select for diffs]
Modified Thu Apr 2 16:04:52 2009 UTC (15 years, 5 months ago) by gezelter
File length: 3387 byte(s)
Diff to previous 3489

Adding options to RNEMD for selecting particular StuntDoubles

Revision 3489 - (view) (annotate) - [select for diffs]
Modified Thu Mar 19 21:03:36 2009 UTC (15 years, 5 months ago) by skuang
File length: 3172 byte(s)
Diff to previous 3488

Added handlers to Integrator to call RNEMD at the right times.  Added initialization
to RNEMD to make sure values from the MD file are available.

Revision 3488 - (view) (annotate) - [select for diffs]
Added Sat Mar 14 01:23:53 2009 UTC (15 years, 6 months ago) by gezelter
File length: 3165 byte(s)

Adding RNEMD

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