AtomForce Struct Reference
[High-level front-end routines]

Structure to hold atomic forces. More...

#include <routines.h>

Data Fields
double	ibForce [3]
double	qfForce [3]
double	dbForce [3]
double	sasaForce [3]
double	savForce [3]
double	wcaForce [3]

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Detailed Description

Structure to hold atomic forces.

Author:

Nathan Baker

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Field Documentation

double AtomForce::dbForce[3]

Dielectric boundary force

Referenced by printElecForce(), and printForce().

double AtomForce::ibForce[3]

Ion-boundary force

Referenced by printElecForce(), and printForce().

double AtomForce::qfForce[3]

Charge-field force

Referenced by forceMG(), printElecForce(), and printForce().

double AtomForce::sasaForce[3]

SASA force (coupled to gamma)

Referenced by printApolForce().

double AtomForce::savForce[3]

SAV force (coupled to press)

Referenced by printApolForce().

double AtomForce::wcaForce[3]

WCA integral force (coupled to bconc)

Referenced by printApolForce().

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

• routines.h