NAMD
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#include "ComputeNonbondedInl.h"
#include "ComputeNonbondedAlch.h"
#include "ComputeNonbondedBase.h"
Go to the source code of this file.
Macros | |
#define | FEPFLAG |
#define | CALCENERGY |
#define | NBTYPE NBPAIR |
#define | FULLELECT |
#define | MERGEELECT |
#define | SLOWONLY |
#define | NBTYPE NBSELF |
#define | FULLELECT |
#define | MERGEELECT |
#define | SLOWONLY |
Functions | |
void | fep_vdw_forceandenergies (BigReal A, BigReal B, BigReal r2, BigReal myVdwShift, BigReal myVdwShift2, BigReal switchdist2, BigReal cutoff2, BigReal switchfactor, Bool vdwForceSwitching, BigReal myVdwLambda, BigReal myVdwLambda2, Bool alchWCAOn, BigReal myRepLambda, BigReal myRepLambda2, BigReal *alch_vdw_energy, BigReal *alch_vdw_force, BigReal *alch_vdw_energy_2) |
#define CALCENERGY |
Definition at line 170 of file ComputeNonbondedFEP.C.
#define FEPFLAG |
Definition at line 169 of file ComputeNonbondedFEP.C.
#define FULLELECT |
Definition at line 187 of file ComputeNonbondedFEP.C.
#define FULLELECT |
Definition at line 187 of file ComputeNonbondedFEP.C.
#define MERGEELECT |
Definition at line 189 of file ComputeNonbondedFEP.C.
#define MERGEELECT |
Definition at line 189 of file ComputeNonbondedFEP.C.
#define NBTYPE NBPAIR |
Definition at line 185 of file ComputeNonbondedFEP.C.
#define NBTYPE NBSELF |
Definition at line 185 of file ComputeNonbondedFEP.C.
#define SLOWONLY |
Definition at line 192 of file ComputeNonbondedFEP.C.
#define SLOWONLY |
Definition at line 192 of file ComputeNonbondedFEP.C.
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inline |
Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.
Definition at line 17 of file ComputeNonbondedFEP.C.
References vdw_energy(), vdw_forceandenergy(), vdw_fswitch_energy(), vdw_fswitch_forceandenergy(), vdw_fswitch_shift(), and vdw_switch().