Object to hold all the forces. More...
#include <IonicMinimizer.h>
Public Member Functions | |
void | init (const IonInfo &) |
initialize to zeroes with the correct species and atom numbers for iInfo | |
void | print (const Everything &, FILE *, const char *prefix="force") const |
IonicGradient & | operator*= (double) |
IonicGradient & | operator+= (const IonicGradient &) |
IonicGradient | operator* (double) const |
IonicGradient | operator+ (const IonicGradient &) const |
IonicGradient | operator- (const IonicGradient &) const |
Object to hold all the forces.