| Package | Description |
|---|---|
| org.openscience.cdk.math.qm |
| Modifier and Type | Method and Description |
|---|---|
Orbitals |
OneElectronJob.calculate() |
Orbitals |
ClosedShellJob.calculate() |
| Constructor and Description |
|---|
ClosedShellJob(Orbitals orbitals) |
OneElectronJob(Orbitals orbitals)
Constructs a one electron job
|
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