sc::ElectronDensity Class Reference
This is a Volume that computes the electron density. More...
#include <chemistry/qc/wfn/density.h>
Inheritance diagram for sc::ElectronDensity:
Public Member Functions | |
| ElectronDensity (const Ref< KeyVal > &) | |
| ElectronDensity (const Ref< Wavefunction > &) | |
| 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< Wavefunction > | wfn_ |
Detailed Description
This is a Volume that computes the electron density.It can be used to generate isodensity surfaces.
Member Function Documentation
| virtual void sc::ElectronDensity::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.
The documentation for this class was generated from the following file:
- src/lib/chemistry/qc/wfn/density.h