[ViewVC] Log of: group/trunk/OOPSE-4/src/brains/Stats.cpp

Revision 3542 - (view) (annotate) - [select for diffs]
Modified Mon Oct 19 13:40:11 2009 UTC (14 years, 8 months ago) by skuang
File length: 9609 byte(s)
Diff to previous 3501

RNEMD temperature and exchange reporting

Revision 3501 - (view) (annotate) - [select for diffs]
Modified Fri May 8 19:47:05 2009 UTC (15 years, 1 month ago) by skuang
File length: 9593 byte(s)
Diff to previous 3487

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

Revision 3487 - (view) (annotate) - [select for diffs]
Modified Fri Mar 13 20:26:32 2009 UTC (15 years, 3 months ago) by gezelter
File length: 9531 byte(s)
Diff to previous 3470

adding support for RNEMD

Revision 3470 - (view) (annotate) - [select for diffs]
Modified Wed Oct 22 20:01:49 2008 UTC (15 years, 8 months ago) by gezelter
File length: 9385 byte(s)
Diff to previous 3448

General bug-fixes and other changes to make particle pots work with
the Helfand Energy correlation function

Revision 3448 - (view) (annotate) - [select for diffs]
Modified Thu Sep 11 19:40:59 2008 UTC (15 years, 9 months ago) by gezelter
File length: 9227 byte(s)
Diff to previous 3430

Added some logic to print out a special pair distance as a column in
the stat file.  To use this feature, use taggedAtomPair = "0, 10" and
printTaggedPairDistance = "true" in the md file.  Then, the distance
between integrableObjects 0 and 10 will be computed and printed in
the stat file on each statWrite.

Revision 3430 - (view) (annotate) - [select for diffs]
Modified Fri Jul 4 20:54:29 2008 UTC (15 years, 11 months ago) by cli2
File length: 9004 byte(s)
Diff to previous 3155

Changes required for Inversions and Base Atom types.  This will
break OOPSE badly for a few days or so...

Revision 3155 - (view) (annotate) - [select for diffs]
Modified Mon Jul 9 21:03:53 2007 UTC (16 years, 11 months ago) by chuckv
File length: 8999 byte(s)
Diff to previous 3126

Changes for MnM forcefield.

Revision 3126 - (view) (annotate) - [select for diffs]
Modified Fri Apr 6 21:53:43 2007 UTC (17 years, 2 months ago) by gezelter
File length: 8823 byte(s)
Diff to previous 2917

Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...

Revision 2917 - (view) (annotate) - [select for diffs]
Modified Mon Jul 3 13:18:43 2006 UTC (17 years, 11 months ago) by chrisfen
File length: 7602 byte(s)
Diff to previous 2380

Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants

Revision 2380 - (view) (annotate) - [select for diffs]
Modified Mon Oct 17 23:13:44 2005 UTC (18 years, 8 months ago) by tim
File length: 7062 byte(s)
Diff to previous 2252

Customized StatWriter is working

Revision 2252 - (view) (annotate) - [select for diffs]
Modified Mon May 30 14:01:52 2005 UTC (19 years, 1 month ago) by chuckv
File length: 4816 byte(s)
Diff to previous 2238

Added method to remove system angular momentum to velocitizer and added method to calculate system angular momentum to siminfo.

Revision 2238 - (view) (annotate) - [select for diffs]
Modified Sun May 22 21:05:15 2005 UTC (19 years, 1 month ago) by tim
File length: 4822 byte(s)
Diff to previous 2204

adding keyword printPressureTensor

Revision 2204 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (19 years, 2 months ago) by gezelter
File length: 4462 byte(s)
Diff to previous 1930

xemacs has been drafted to perform our indentation services

Revision 1930 - (view) (annotate) - [select for diffs]
Added Wed Jan 12 22:41:40 2005 UTC (19 years, 5 months ago) by gezelter
File length: 4460 byte(s)

merging new_design branch into OOPSE-2.0

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