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sc::Volume(3)                        MPQC                        sc::Volume(3)

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 *) 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 Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Fri Feb 19 2016 sc::Volume(3)

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