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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, 3 months ago) by tim
File length: 1144 byte(s)
Diff to previous 1150 , to selected 1136 
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, 3 months 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) - [selected]
Modified Tue Apr 27 16:26:44 2004 UTC (20 years, 4 months 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) - [select for diffs]
Added Thu Aug 7 21:47:18 2003 UTC (21 years ago) by mmeineke
File length: 1146 byte(s)
Diff to selected 1136 
switched SimInfo to use a system configuration from SimState rather than arrays from Atom

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