[ViewVC] Log of: group/trunk/OOPSE/libmdtools/SimState.hpp

Revision 1452 - (view) (annotate) - [select for diffs]
Modified Mon Aug 23 15:11:36 2004 UTC (20 years, 8 months ago) by tim
File length: 1246 byte(s)
Diff to previous 1167 , to selected 670

*** empty log message ***

Revision 1167 - (view) (annotate) - [select for diffs]
Modified Wed May 12 16:38:45 2004 UTC (20 years, 11 months ago) by tim
File length: 1144 byte(s)
Diff to previous 1150 , to selected 670

get rid of rc and massratio from simState, creat cutoff group forevery atom
which does not belong to
cutoff group defined at mdl file

Revision 1150 - (view) (annotate) - [select for diffs]
Modified Fri May 7 21:35:05 2004 UTC (20 years, 11 months ago) by gezelter
File length: 1340 byte(s)
Diff to previous 1136 , to selected 670

Many changes to get group-based cutoffs to work

Revision 1136 - (view) (annotate) - [select for diffs]
Modified Tue Apr 27 16:26:44 2004 UTC (21 years ago) by tim
File length: 1323 byte(s)
Diff to previous 670

add center of mass of the molecule and massRation into atom class

Revision 670 - (view) (annotate) - [selected]
Added Thu Aug 7 21:47:18 2003 UTC (21 years, 8 months ago) by mmeineke
File length: 1146 byte(s)

switched SimInfo to use a system configuration from SimState rather than arrays from Atom

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