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root/group/trunk/OOPSE/libmdtools/SimState.cpp
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: 2829 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 (20 years, 11 months ago) by gezelter
File length: 3248 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: 3125 byte(s)
Diff to previous 829 , to selected 1150 
add center of mass of the molecule and massRation into atom class
Revision 829 - (view) (annotate) - [select for diffs]
Modified Tue Oct 28 16:03:37 2003 UTC (21 years, 6 months ago) by gezelter
File length: 2829 byte(s)
Diff to previous 707 , to selected 1150 
replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.
Revision 707 - (view) (annotate) - [select for diffs]
Modified Wed Aug 20 19:42:31 2003 UTC (21 years, 8 months ago) by mmeineke
File length: 2827 byte(s)
Diff to previous 670 , to selected 1150 
updated the Changelog.

added some bug fixes for setting the random number generator seed value.

fixed a bug where ghostbend atom b was not being set. ( recent bug from SimState conversion)
Revision 670 - (view) (annotate) - [select for diffs]
Added Thu Aug 7 21:47:18 2003 UTC (21 years, 8 months ago) by mmeineke
File length: 2808 byte(s)
Diff to selected 1150 
switched SimInfo to use a system configuration from SimState rather than arrays from Atom

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