JDFTx  1.7.0
IonicGradient Struct Reference

Vector space entry for ionic minimization (forces) More...

#include <IonicMinimizer.h>

Inheritance diagram for IonicGradient:

Public Member Functions

void init (const class IonInfo &)
 initialize to zeroes with the correct species and atom numbers for iInfo
void print (const Everything &, FILE *, const char *prefix="force") const
void write (const char *fname) const
void read (const char *fname)
IonicGradientoperator*= (double)
IonicGradientoperator+= (const IonicGradient &)
IonicGradientoperator-= (const IonicGradient &)
IonicGradient operator* (double) const
IonicGradient operator+ (const IonicGradient &) const
IonicGradient operator- (const IonicGradient &) const

Detailed Description

Vector space entry for ionic minimization (forces)

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