JDFTx  1.7.0
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IonicGradient Struct Reference
Electronic DFT » Ionic system

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)
 
IonicGradient & operator*= (double)
 
IonicGradient & operator+= (const IonicGradient &)
 
IonicGradient & operator-= (const IonicGradient &)
 
IonicGradient operator* (double) const
 
IonicGradient operator+ (const IonicGradient &) const
 
IonicGradient operator- (const IonicGradient &) const
 

Static Public Member Functions

static double maxComponent (const IonicGradient *)
 MinimizeParams::maxCalculator for max force component.
 

Detailed Description

Vector space entry for ionic minimization (forces)

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