NAMD
ComputeNonbondedStd.C
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/*
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Common operations for ComputeNonbonded classes
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*/
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// DMK - CHECK/DEBUG - Atom Separation (water vs. non-water)
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#include "
common.h
"
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#include "
NamdTypes.h
"
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#if NAMD_SeparateWaters != 0
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#define DEFINE_CHECK_WATER_SEPARATION
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#endif
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#include "
ComputeNonbondedInl.h
"
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#define NBTYPE NBPAIR
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#include "
ComputeNonbondedBase.h
"
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#define CALCENERGY
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#include "
ComputeNonbondedBase.h
"
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#undef CALCENERGY
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#define FULLELECT
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#include "
ComputeNonbondedBase.h
"
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#define CALCENERGY
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#include "
ComputeNonbondedBase.h
"
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#undef CALCENERGY
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#define MERGEELECT
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#include "
ComputeNonbondedBase.h
"
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#define CALCENERGY
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#include "
ComputeNonbondedBase.h
"
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#undef CALCENERGY
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#undef MERGEELECT
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#define SLOWONLY
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#include "
ComputeNonbondedBase.h
"
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#define CALCENERGY
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#include "
ComputeNonbondedBase.h
"
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#undef CALCENERGY
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#undef SLOWONLY
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#undef FULLELECT
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#undef NBTYPE
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#define NBTYPE NBSELF
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#include "
ComputeNonbondedBase.h
"
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#define CALCENERGY
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#include "
ComputeNonbondedBase.h
"
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#undef CALCENERGY
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#define FULLELECT
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#include "
ComputeNonbondedBase.h
"
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#define CALCENERGY
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#include "
ComputeNonbondedBase.h
"
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#undef CALCENERGY
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#define MERGEELECT
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#include "
ComputeNonbondedBase.h
"
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#define CALCENERGY
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#include "
ComputeNonbondedBase.h
"
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#undef CALCENERGY
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#undef MERGEELECT
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#define SLOWONLY
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#include "
ComputeNonbondedBase.h
"
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#define CALCENERGY
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#include "
ComputeNonbondedBase.h
"
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#undef CALCENERGY
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#undef SLOWONLY
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#undef FULLELECT
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#undef NBTYPE
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#define INTFLAG
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#define CALCENERGY
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#define NBTYPE NBPAIR
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#include "
ComputeNonbondedBase.h
"
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#define FULLELECT
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#include "
ComputeNonbondedBase.h
"
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#define MERGEELECT
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#include "
ComputeNonbondedBase.h
"
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#undef MERGEELECT
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#undef FULLELECT
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#undef NBTYPE
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#define NBTYPE NBSELF
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#include "
ComputeNonbondedBase.h
"
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#define FULLELECT
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#include "
ComputeNonbondedBase.h
"
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#define MERGEELECT
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#include "
ComputeNonbondedBase.h
"
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#undef MERGEELECT
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#undef FULLELECT
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#undef NBTYPE
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#undef CALCENERGY
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#undef INTFLAG
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// moved to ComputeNonbondedPprof.C
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#if 0
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#define PPROFFLAG
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#define CALCENERGY
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#define NBTYPE NBPAIR
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#include "
ComputeNonbondedBase.h
"
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#define FULLELECT
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#include "
ComputeNonbondedBase.h
"
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#define MERGEELECT
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#include "
ComputeNonbondedBase.h
"
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#undef MERGEELECT
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#undef FULLELECT
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#undef NBTYPE
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#define NBTYPE NBSELF
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#include "
ComputeNonbondedBase.h
"
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#define FULLELECT
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#include "
ComputeNonbondedBase.h
"
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#define MERGEELECT
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#include "
ComputeNonbondedBase.h
"
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#undef MERGEELECT
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#undef FULLELECT
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#undef NBTYPE
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#undef CALCENERGY
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#undef PPROFFLAG
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#endif
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NamdTypes.h
ComputeNonbondedInl.h
common.h
ComputeNonbondedBase.h
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