| sc::Volume(3) | MPQC | sc::Volume(3) |
sc::Volume - A Volume is a Function of three variables.
#include <volume.h>
Inherits sc::Function.
Inherited by sc::BatchElectronDensity, sc::ElectronDensity, sc::Orbital, and sc::Shape.
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)
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 *)
A Volume is a Function of three variables.
Implemented in sc::BatchElectronDensity.
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, sc::Orbital, and sc::Shape.
Reimplemented from sc::Function.
Set and retrieve the coordinate values.
Reimplemented from sc::Function.
Generated automatically by Doxygen for MPQC from the source code.
| Fri Dec 2 2022 | Version 2.3.1 |