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root/group/trunk/OOPSE/libmdtools/SimState.hpp
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 
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) - [selected]
Modified Fri May 7 21:35:05 2004 UTC (21 years ago) by gezelter
File length: 1340 byte(s)
Diff to previous 1136 
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 , to selected 1150 
add center of mass of the molecule and massRation into atom class
Revision 670 - (view) (annotate) - [select for diffs]
Added Thu Aug 7 21:47:18 2003 UTC (21 years, 9 months ago) by mmeineke
File length: 1146 byte(s)
Diff to selected 1150 
switched SimInfo to use a system configuration from SimState rather than arrays from Atom

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