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 *)
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.