Class MoldenReader

All Implemented Interfaces:
javajs.api.GenericLineReader
Direct Known Subclasses:
QCJSONReader

public class MoldenReader extends MopacSlaterReader
A molecular structure and orbital reader for MolDen files. See http://www.cmbi.ru.nl/molden/molden_format.html updated by Bob Hanson <hansonr@stolaf.edu> for Jmol 12.0/12.1 adding [spacegroup] [operators] [cell] [cellaxes] for Jmol 14.3.7 adding [STO] ANGS MOPAC -- optional zeta in ANGS -- optional mopac scaling
Author:
Matthew Zwier <mczwier@gmail.com>
  • Field Details

    • loadGeometries

      protected boolean loadGeometries
    • loadVibrations

      protected boolean loadVibrations
    • vibOnly

      protected boolean vibOnly
    • optOnly

      protected boolean optOnly
    • doSort

      protected boolean doSort
    • orbitalType

      protected String orbitalType
    • modelAtomCount

      protected int modelAtomCount
    • lineBuffer

      private javajs.util.Lst<String> lineBuffer
    • bsAtomOK

      private javajs.util.BS bsAtomOK
    • bsBadIndex

      private javajs.util.BS bsBadIndex
    • nSPDF

      private int[] nSPDF
    • haveEnergy

      protected boolean haveEnergy
    • ptLineBuf

      private int ptLineBuf
    • bufLen

      private int bufLen
  • Constructor Details

    • MoldenReader

      public MoldenReader()
  • Method Details