ClosedShellJob (cdk 2.9 API)

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

```
public class ClosedShellJob
extends Object
```
Calculates the orbitals and orbital energies of electron systems with closed shells

Author:

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

Source code:
main

Belongs to CDK module:
qm

Created on:

2001-06-14

- Constructor Summary
  
  Constructors
  Constructor Description
  
  ClosedShellJob(Orbitals orbitals)
- Method Summary
  
  All Methods Instance Methods Concrete Methods
  Modifier and Type Method Description
  
  Orbitals calculate()
  
  Vector getEnergies()
  - Methods inherited from class java.lang.Object
    clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

ClosedShellJob

public ClosedShellJob(Orbitals orbitals)

Method Detail

getEnergies
```
public Vector getEnergies()
```

calculate
```
public Orbitals calculate()
```