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.