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Modified use of neighbor list in COORDINATION
It solves a known problem with the calculation of acceptance in replica exchange with COORDINATION and NLIST. Notice that it changes the behavior of neighbor list in the first two steps of a simulation. Previously, during those steps full pair list was used. Now, first step is equivalent to any other step multiple of NL_STRIDE. Because of this, I updated a couple of regtests.
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- regtest/multicolvar/rt20-mpi/colvar.reference 2 additions, 2 deletionsregtest/multicolvar/rt20-mpi/colvar.reference
- regtest/multicolvar/rt20/colvar.reference 2 additions, 2 deletionsregtest/multicolvar/rt20/colvar.reference
- src/colvar/CoordinationBase.cpp 10 additions, 12 deletionssrc/colvar/CoordinationBase.cpp
- src/colvar/CoordinationBase.h 2 additions, 1 deletionsrc/colvar/CoordinationBase.h
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