Data Fields

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]

Detailed Description

Structure to hold atomic forces.

Author:
Nathan Baker

Definition at line 80 of file routines.h.


Field Documentation

double dbForce[3]

Dielectric boundary force

Definition at line 83 of file routines.h.

double ibForce[3]

Ion-boundary force

Definition at line 81 of file routines.h.

double qfForce[3]

Charge-field force

Definition at line 82 of file routines.h.

double sasaForce[3]

SASA force (coupled to gamma)

Definition at line 84 of file routines.h.

double savForce[3]

SAV force (coupled to press)

Definition at line 85 of file routines.h.

double wcaForce[3]

WCA integral force (coupled to bconc)

Definition at line 86 of file routines.h.


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