NAMD
Public Attributes | List of all members
nonbonded Struct Reference

#include <ComputeNonbondedUtil.h>

Public Attributes

CompAtom * p [2]
 
CompAtomExt * pExt [2]
 
CompAtom * v [2]
 
Force * ff [2]
 
Force * fullf [2]
 
int numAtoms [2]
 
Vector offset
 
Vector offset_f
 
BigReal * reduction
 
BigReal * pressureProfileReduction
 
Parameters * parameters
 
SimParameters * simParameters
 
Random * random
 
ComputeNonbondedWorkArrays * workArrays
 
Pairlists * pairlists
 
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 191 of file ComputeNonbondedUtil.h.

Member Data Documentation

int nonbonded::doLoweAndersen

Definition at line 230 of file ComputeNonbondedUtil.h.

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

Force* nonbonded::ff[2]

Definition at line 200 of file ComputeNonbondedUtil.h.

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

Force* nonbonded::fullf[2]

Definition at line 202 of file ComputeNonbondedUtil.h.

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

BigReal nonbonded::groupplcutoff

Definition at line 227 of file ComputeNonbondedUtil.h.

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

int nonbonded::maxPart

Definition at line 234 of file ComputeNonbondedUtil.h.

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

int nonbonded::minPart

Definition at line 233 of file ComputeNonbondedUtil.h.

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

int nonbonded::numAtoms[2]

Definition at line 204 of file ComputeNonbondedUtil.h.

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

int nonbonded::numParts

Definition at line 235 of file ComputeNonbondedUtil.h.

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

Vector nonbonded::offset

Definition at line 206 of file ComputeNonbondedUtil.h.

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

Vector nonbonded::offset_f

Definition at line 207 of file ComputeNonbondedUtil.h.

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

CompAtom* nonbonded::p[2]

Definition at line 192 of file ComputeNonbondedUtil.h.

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

Pairlists* nonbonded::pairlists

Definition at line 223 of file ComputeNonbondedUtil.h.

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

Parameters* nonbonded::parameters

Definition at line 217 of file ComputeNonbondedUtil.h.

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

CompAtomExt* nonbonded::pExt[2]

Definition at line 196 of file ComputeNonbondedUtil.h.

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

BigReal nonbonded::plcutoff

Definition at line 226 of file ComputeNonbondedUtil.h.

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

BigReal* nonbonded::pressureProfileReduction

Definition at line 215 of file ComputeNonbondedUtil.h.

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

Vector nonbonded::projLineVec

Definition at line 239 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedPair::doForce().

Random* nonbonded::random

Definition at line 219 of file ComputeNonbondedUtil.h.

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

BigReal* nonbonded::reduction

Definition at line 214 of file ComputeNonbondedUtil.h.

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

int nonbonded::savePairlists

Definition at line 224 of file ComputeNonbondedUtil.h.

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

SimParameters* nonbonded::simParameters

Definition at line 218 of file ComputeNonbondedUtil.h.

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

int nonbonded::step

Definition at line 236 of file ComputeNonbondedUtil.h.

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

int nonbonded::usePairlists

Definition at line 225 of file ComputeNonbondedUtil.h.

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

CompAtom* nonbonded::v[2]

Definition at line 198 of file ComputeNonbondedUtil.h.

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

ComputeNonbondedWorkArrays* nonbonded::workArrays

Definition at line 221 of file ComputeNonbondedUtil.h.

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

The documentation for this struct was generated from the following file:
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