Another proposed mover change
30 Jul
2011
30 Jul
'11
8:54 a.m.
I'd like to make another minor change to the mover, namely to change the propose_move method so that it returns a list of particles that were moved. Monte Carlo implementations can then use this list to only evaluate the restraints whose scores have been changed, replacing the functionality that was removed when the incremental evaluation support was removed. I will, of course, make the changes for movers in svn.
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Daniel Russel