Class Wien2kReader

  • All Implemented Interfaces:
    javajs.api.GenericLineReader

    public class Wien2kReader
    extends AtomSetCollectionReader
    A reader for Wein2k DFT files. http://www.wien2k.at/reg_user/textbooks/usersguide.pdf Bob Hanson hansonr@stolaf.edu 5/14/2009
    • Field Detail

      • isrhombohedral

        private boolean isrhombohedral
      • latticeCode

        private char latticeCode
      • doSymmetry

        private boolean doSymmetry
    • Constructor Detail

      • Wien2kReader

        public Wien2kReader()
    • Method Detail

      • readUnitCell

        private void readUnitCell()
                           throws java.lang.Exception
        Throws:
        java.lang.Exception
      • readAtoms

        private void readAtoms()
                        throws java.lang.Exception
        Throws:
        java.lang.Exception
      • addAtom

        private void addAtom()
      • readSymmetry

        private void readSymmetry()
                           throws java.lang.Exception
        Throws:
        java.lang.Exception
      • getJones

        private java.lang.String getJones()
                                   throws java.lang.Exception
        Throws:
        java.lang.Exception
      • readEmbeddedScript

        private void readEmbeddedScript()
                                 throws java.lang.Exception
        Throws:
        java.lang.Exception