man sc_Volume (Fonctions bibliothèques) - A Volume is a Function of three variables.

NAME

sc::Volume - A Volume is a Function of three variables.

SYNOPSIS



#include <volume.h>

Inherits sc::Function.

Inherited by sc::BatchElectronDensity, sc::ElectronDensity, sc::Orbital, and sc::Shape.

Public Member Functions

Volume (const Ref< KeyVal > &)

void set_gradient (const SCVector3 &g)

void set_gradient (RefSCVector &g)

void get_gradient (SCVector3 &g)

void set_x (const SCVector3 &x)

void set_x (const RefSCVector &x)

Set and retrieve the coordinate values. void get_x (SCVector3 &x)

virtual void boundingbox (double valuemin, double valuemax, SCVector3 &p1, SCVector3 &p2)=0

virtual void interpolate (const SCVector3 &p1, const SCVector3 &p2, double value, SCVector3 &result)

virtual void solve (const SCVector3 &p, const SCVector3 &grad, double value, SCVector3 &result)

Protected Member Functions

double & interpolation_accuracy ()

virtual void compute ()=0

Recompute at least the results that have compute true and are not already computed. virtual void failure (const char *)

Detailed Description

A Volume is a Function of three variables.

Member Function Documentation

virtual void sc::Volume::compute () [protected, pure virtual]

Recompute at least the results that have compute true and are not already computed.

This should only be called by Result's members.

Implements sc::Compute.

Implemented in sc::ElectronDensity, sc::BatchElectronDensity, and sc::Shape.

Author

Generated automatically by Doxygen for MPQC from the source code.