Class GenNBOReader

  • All Implemented Interfaces:
    javajs.api.GenericLineReader

    public class GenNBOReader
    extends MOReader
    NBO file nn reader will pull in other files as necessary acknowledgments: Grange Hermitage, Frank Weinhold upgrade to NBO 6 allows reading of resonance structures, including base structure
    Author:
    hansonr
    • Field Detail

      • isOutputFile

        private boolean isOutputFile
      • nboType

        private String nboType
      • nOrbitals0

        private int nOrbitals0
      • is47File

        private boolean is47File
      • isOpenShell

        private boolean isOpenShell
      • alphaOnly

        private boolean alphaOnly
      • betaOnly

        private boolean betaOnly
      • nAOs

        private int nAOs
      • nNOs

        private int nNOs
      • topoType

        private String topoType
      • nStructures

        private int nStructures
      • addBetaSet

        private boolean addBetaSet
      • P_LIST

        private static String P_LIST
      • SP_LIST

        private static String SP_LIST
      • DS_LIST

        private static String DS_LIST
      • DC_LIST

        private static String DC_LIST
      • FS_LIST

        private static String FS_LIST
      • FC_LIST

        private static String FC_LIST
      • GS_LIST

        private static String GS_LIST
      • GC_LIST

        private static String GC_LIST
      • HS_LIST

        private static String HS_LIST
      • HC_LIST

        private static String HC_LIST
      • IS_LIST

        private static String IS_LIST
      • IC_LIST

        private static String IC_LIST
    • Constructor Detail

      • GenNBOReader

        public GenNBOReader()