Revision 3541 - (view) (annotate) - [select for diffs]
Modified Mon Oct 19 13:39:04 2009 UTC (16 years, 3 months ago) by skuang
File length: 31972 byte(s)
Diff to previous 3510 , to selected 3493

added RNEMD scaling

Parallel version of RNEMD

Revision 3501 - (view) (annotate) - [select for diffs]
Modified Fri May 8 19:47:05 2009 UTC (16 years, 9 months ago) by skuang
File length: 12122 byte(s)
Diff to previous 3499 , to selected 3493

Bug fixes and sanity checks for RNEMD (nBins should be even), check to make
sure we aren't selecting inappropriate numbers of integrable Objects

bug fix in DLM, added temperature profiles and uniform bins to RNEMD

Revision 3498 - (view) (annotate) - [select for diffs]
Modified Thu Apr 23 18:22:30 2009 UTC (16 years, 9 months ago) by skuang
File length: 12175 byte(s)
Diff to previous 3493

Added a getStatus routine to check the temperatures

Bug fix

Revision 3492 - (view) (annotate) - [select for diffs]
Modified Thu Apr 2 18:11:59 2009 UTC (16 years, 10 months ago) by gezelter
File length: 7640 byte(s)
Diff to previous 3491 , to selected 3493

Debugging, but still unstable

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 (16 years, 10 months ago) by gezelter
File length: 4770 byte(s)
Diff to previous 3489 , to selected 3493

Adding options to RNEMD for selecting particular StuntDoubles

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 (16 years, 11 months ago) by gezelter
File length: 3092 byte(s)
Diff to selected 3493

Adding RNEMD