APBS 3.0.0
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Data Fields
AtomForce Struct Reference
High-level front-end routines

Structure to hold atomic forces. More...

#include </builddir/build/BUILD/apbs-3.0.0-build/apbs-3.0.0/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 99 of file routines.h.

Field Documentation

◆ dbForce

double dbForce[3]

Dielectric boundary force

Definition at line 102 of file routines.h.

◆ ibForce

double ibForce[3]

Ion-boundary force

Definition at line 100 of file routines.h.

◆ qfForce

double qfForce[3]

Charge-field force

Definition at line 101 of file routines.h.

◆ sasaForce

double sasaForce[3]

SASA force (coupled to gamma)

Definition at line 103 of file routines.h.

◆ savForce

double savForce[3]

SAV force (coupled to press)

Definition at line 104 of file routines.h.

◆ wcaForce

double wcaForce[3]

WCA integral force (coupled to bconc)

Definition at line 105 of file routines.h.

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