OneElectronJob (cdk 2.9 API)

java.lang.Object
- org.openscience.cdk.math.qm.OneElectronJob

```
public class OneElectronJob
extends Object
```
Calculates the orbitals and orbital energies of electron systems without electron electron interactions

Author:

Stephan Michels <stephan@vern.chem.tu-berlin.de>

Source code:
main

Belongs to CDK module:
qm

Created on:

2001-09-03

- Constructor Summary
  
  Constructors
  Constructor Description
  
  OneElectronJob(Orbitals orbitals)
  Constructs a one electron job
- Method Summary
  
  All Methods Instance Methods Concrete Methods
  Modifier and Type Method Description
  
  Orbitals calculate()
  
  Vector getEnergies()
  Returns the energies of the orbitals
  - Methods inherited from class java.lang.Object
    clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

- Constructor Detail
  - OneElectronJob
```
public OneElectronJob(Orbitals orbitals)
```
    Constructs a one electron job
- Method Detail
  - getEnergies
```
public Vector getEnergies()
```
    Returns the energies of the orbitals
  - calculate
```
public Orbitals calculate()
```