NAMD
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#include "ComputeNonbondedInl.h"
#include "ComputeNonbondedAlch.h"
#include "ComputeNonbondedBase.h"
Go to the source code of this file.
Macros | |
#define | TIFLAG |
#define | CALCENERGY |
#define | NBTYPE NBPAIR |
#define | FULLELECT |
#define | MERGEELECT |
#define | SLOWONLY |
#define | NBTYPE NBSELF |
#define | FULLELECT |
#define | MERGEELECT |
#define | SLOWONLY |
#define | NBTYPE NBPAIR |
#define | FULLELECT |
#define | MERGEELECT |
#define | SLOWONLY |
#define | NBTYPE NBSELF |
#define | FULLELECT |
#define | MERGEELECT |
#define | SLOWONLY |
Functions | |
void | ti_vdw_force_energy_dUdl (BigReal A, BigReal B, BigReal r2, BigReal myVdwShift, BigReal switchdist2, BigReal cutoff2, BigReal switchfactor, Bool vdwForceSwitching, BigReal myVdwLambda, BigReal alchVdwShiftCoeff, Bool alchWCAOn, BigReal myRepLambda, BigReal *alch_vdw_energy, BigReal *alch_vdw_force, BigReal *alch_vdw_dUdl) |
#define CALCENERGY |
Definition at line 144 of file ComputeNonbondedTI.C.
#define FULLELECT |
Definition at line 189 of file ComputeNonbondedTI.C.
#define FULLELECT |
Definition at line 189 of file ComputeNonbondedTI.C.
#define FULLELECT |
Definition at line 189 of file ComputeNonbondedTI.C.
#define FULLELECT |
Definition at line 189 of file ComputeNonbondedTI.C.
#define MERGEELECT |
Definition at line 191 of file ComputeNonbondedTI.C.
#define MERGEELECT |
Definition at line 191 of file ComputeNonbondedTI.C.
#define MERGEELECT |
Definition at line 191 of file ComputeNonbondedTI.C.
#define MERGEELECT |
Definition at line 191 of file ComputeNonbondedTI.C.
#define NBTYPE NBPAIR |
Definition at line 187 of file ComputeNonbondedTI.C.
#define NBTYPE NBSELF |
Definition at line 187 of file ComputeNonbondedTI.C.
#define NBTYPE NBPAIR |
Definition at line 187 of file ComputeNonbondedTI.C.
#define NBTYPE NBSELF |
Definition at line 187 of file ComputeNonbondedTI.C.
#define SLOWONLY |
Definition at line 194 of file ComputeNonbondedTI.C.
#define SLOWONLY |
Definition at line 194 of file ComputeNonbondedTI.C.
#define SLOWONLY |
Definition at line 194 of file ComputeNonbondedTI.C.
#define SLOWONLY |
Definition at line 194 of file ComputeNonbondedTI.C.
#define TIFLAG |
Definition at line 143 of file ComputeNonbondedTI.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 ComputeNonbondedTI.C.
References A, vdw_forceandenergy(), vdw_fswitch_forceandenergy(), vdw_fswitch_shift(), and vdw_switch().