APBS 3.0.0
|
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] |
Structure to hold atomic forces.
Definition at line 99 of file routines.h.
double dbForce[3] |
Dielectric boundary force
Definition at line 102 of file routines.h.
double ibForce[3] |
Ion-boundary force
Definition at line 100 of file routines.h.
double qfForce[3] |
Charge-field force
Definition at line 101 of file routines.h.
double sasaForce[3] |
SASA force (coupled to gamma)
Definition at line 103 of file routines.h.
double savForce[3] |
SAV force (coupled to press)
Definition at line 104 of file routines.h.
double wcaForce[3] |
WCA integral force (coupled to bconc)
Definition at line 105 of file routines.h.