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 Details

    • 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
    • nboParser

      NBOParser nboParser
    • addBetaSet

      private boolean addBetaSet
    • P_LIST

      private static String P_LIST
    • PS_LIST

      private static String PS_LIST
    • SP_LIST

      private static String SP_LIST
    • SPS_LIST

      private static String SPS_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 Details

    • GenNBOReader

      public GenNBOReader()
  • Method Details