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
    Author:
    Matthew Zwier <mczwier@gmail.com>
    • Field Detail

      • 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
      • bsAtomOK

        private javajs.util.BS bsAtomOK
      • bsBadIndex

        private javajs.util.BS bsBadIndex
      • nSPDF

        private int[] nSPDF
      • haveEnergy

        private boolean haveEnergy
    • Constructor Detail

      • MoldenReader

        public MoldenReader()