[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 , to selected 3448

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 , to selected 3448

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 , to selected 3448

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) - [selected]
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 , to selected 3448

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 , to selected 3448

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 , to selected 3448

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 (18 years ago) by chrisfen
File length: 7602 byte(s)
Diff to previous 2380 , to selected 3448

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 , to selected 3448

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 , to selected 3448

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 , to selected 3448

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 , to selected 3448

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)
Diff to selected 3448

merging new_design branch into OOPSE-2.0

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