Vector-space entry for lattice minimization (stress and forces): More...

#include <LatticeMinimizer.h>

Public Member Functions
void	init (const class IonInfo &iInfo)
	initialize correct sizes

LatticeGradient &	*operator=** (double scale)

LatticeGradient &	operator+= (const LatticeGradient &)

LatticeGradient	operator+ (const LatticeGradient &) const

LatticeGradient	operator- (const LatticeGradient &) const

Public Attributes
matrix3	lattice
	lattice component (stress)

IonicGradient	ionic
	ionic or internal geometry component (forces)

diagMatrix	thermostat
	optional extra degrees of freedom used by thermostats in IonicDynamics

diagMatrix	barostat
	optional extra degrees of freedom used by barostats in IonicDynamics

Detailed Description

Vector-space entry for lattice minimization (stress and forces):

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

Public Member Functions