nonbonded Struct Reference

#include <ComputeNonbondedUtil.h>

List of all members.

Public Attributes

CompAtomp [2]
CompAtomExtpExt [2]
CompAtomv [2]
Forceff [2]
Forcefullf [2]
int numAtoms [2]
Vector offset
Vector offset_f
BigRealreduction
BigRealpressureProfileReduction
Parametersparameters
SimParameterssimParameters
Randomrandom
ComputeNonbondedWorkArraysworkArrays
Pairlistspairlists
int savePairlists
int usePairlists
BigReal plcutoff
BigReal groupplcutoff
int doLoweAndersen
int minPart
int maxPart
int numParts
int step
Vector projLineVec


Detailed Description

Definition at line 183 of file ComputeNonbondedUtil.h.


Member Data Documentation

int nonbonded::doLoweAndersen

Definition at line 222 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().

Force* nonbonded::ff[2]

Definition at line 192 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedUtil::calcGBIS(), ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().

Force* nonbonded::fullf[2]

Definition at line 194 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedUtil::calcGBIS(), ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().

BigReal nonbonded::groupplcutoff

Definition at line 219 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().

int nonbonded::maxPart

Definition at line 226 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().

int nonbonded::minPart

Definition at line 225 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedUtil::calcGBIS(), ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().

int nonbonded::numAtoms[2]

Definition at line 196 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedUtil::calcGBIS(), ComputeNonbondedSelf::doForce(), ComputeNonbondedPair::doForce(), and pairlistFromAll().

int nonbonded::numParts

Definition at line 227 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedUtil::calcGBIS(), ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().

Vector nonbonded::offset

Definition at line 198 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedUtil::calcGBIS(), ComputeNonbondedSelf::doForce(), ComputeNonbondedPair::doForce(), and pairlistFromAll().

Vector nonbonded::offset_f

Definition at line 199 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().

CompAtom* nonbonded::p[2]

Definition at line 184 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedUtil::calcGBIS(), ComputeNonbondedSelf::doForce(), ComputeNonbondedPair::doForce(), and pairlistFromAll().

Pairlists* nonbonded::pairlists

Definition at line 215 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().

Parameters* nonbonded::parameters

Definition at line 209 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedPair::ComputeNonbondedPair(), and ComputeNonbondedSelf::ComputeNonbondedSelf().

CompAtomExt* nonbonded::pExt[2]

Definition at line 188 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedUtil::calcGBIS(), ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().

BigReal nonbonded::plcutoff

Definition at line 218 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().

BigReal* nonbonded::pressureProfileReduction

Definition at line 207 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().

Vector nonbonded::projLineVec

Definition at line 231 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedPair::doForce().

Random* nonbonded::random

Definition at line 211 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedPair::ComputeNonbondedPair(), and ComputeNonbondedSelf::ComputeNonbondedSelf().

BigReal* nonbonded::reduction

Definition at line 206 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().

int nonbonded::savePairlists

Definition at line 216 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().

SimParameters* nonbonded::simParameters

Definition at line 210 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedPair::ComputeNonbondedPair(), and ComputeNonbondedSelf::ComputeNonbondedSelf().

int nonbonded::step

Definition at line 228 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().

int nonbonded::usePairlists

Definition at line 217 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().

CompAtom* nonbonded::v[2]

Definition at line 190 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().

ComputeNonbondedWorkArrays* nonbonded::workArrays

Definition at line 213 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedSelf::doForce(), and ComputeNonbondedPair::doForce().


The documentation for this struct was generated from the following file:
Generated on Sat Sep 23 01:17:20 2017 for NAMD by  doxygen 1.4.7