sc_Orbital man page

sc::Orbital

Synopsis

Inherits sc::Volume.

Public Member Functions

Orbital (const Ref< KeyVal > &)
Orbital (const Ref< OneBodyWavefunction > &, int orbital)
virtual void boundingbox (double valuemin, double valuemax, SCVector3 &p1, SCVector3 &p2)

Protected Member Functions

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

Protected Attributes

Ref< OneBodyWavefunction > wfn_
int orbital_

Additional Inherited Members

Member Function Documentation

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

Author

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Info

Fri Aug 4 2017 Version 2.3.1 MPQC