sc_Volume man page

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 *)

Additional Inherited Members

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

Author

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Info

Fri May 6 2016 Version 2.3.1 MPQC