org.jmol.adapter.readers.more

Class GamessUKReader

public class GamessUKReader extends GamessReader

Field Summary
Vectoroccupancies
Vectorsymmetries
Method Summary
protected StringfixShellTag(String tag)
protected voidgetMOHeader(String[] tokens, Hashtable[] mos, int nThisLine)
protected voidreadAtomsInBohrCoordinates()
AtomSetCollectionreadAtomSetCollection(BufferedReader reader)
voidreadOrbitalSymmetryAndOccupancy()
voidsetOrbitalSymmetryAndOccupancy()

Field Detail

occupancies

private Vector occupancies

symmetries

private Vector symmetries

Method Detail

fixShellTag

protected String fixShellTag(String tag)

getMOHeader

protected void getMOHeader(String[] tokens, Hashtable[] mos, int nThisLine)

readAtomsInBohrCoordinates

protected void readAtomsInBohrCoordinates()

readAtomSetCollection

public AtomSetCollection readAtomSetCollection(BufferedReader reader)

readOrbitalSymmetryAndOccupancy

private void readOrbitalSymmetryAndOccupancy()

setOrbitalSymmetryAndOccupancy

private void setOrbitalSymmetryAndOccupancy()