APBS  1.4.1
AtomForce Struct Reference

Structure to hold atomic forces. More...

#include </builddir/build/BUILD/apbs/src/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 83 of file routines.h.

Field Documentation

double dbForce[3]

Dielectric boundary force

Definition at line 86 of file routines.h.

double ibForce[3]

Ion-boundary force

Definition at line 84 of file routines.h.

double qfForce[3]

Charge-field force

Definition at line 85 of file routines.h.

double sasaForce[3]

SASA force (coupled to gamma)

Definition at line 87 of file routines.h.

double savForce[3]

SAV force (coupled to press)

Definition at line 88 of file routines.h.

double wcaForce[3]

WCA integral force (coupled to bconc)

Definition at line 89 of file routines.h.


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