Class GamessUSReader

  • All Implemented Interfaces:
    javajs.api.GenericLineReader

    public class GamessUSReader
    extends GamessReader
    • Field Detail

      • lowdenCharges

        private boolean lowdenCharges
    • Constructor Detail

      • GamessUSReader

        public GamessUSReader()
    • Method Detail

      • initializeReader

        protected void initializeReader()
                                 throws java.lang.Exception
        Overrides:
        initializeReader in class GamessReader
        Throws:
        java.lang.Exception
      • checkLine

        protected boolean checkLine()
                             throws java.lang.Exception
        Overrides:
        checkLine in class AtomSetCollectionReader
        Returns:
        true if need to read new line
        Throws:
        java.lang.Exception
      • readInputDeck

        private boolean readInputDeck()
                               throws java.lang.Exception
        Throws:
        java.lang.Exception
      • readMolecularOrbitals

        protected void readMolecularOrbitals​(int headerType)
                                      throws java.lang.Exception
        Overrides:
        readMolecularOrbitals in class MOReader
        Throws:
        java.lang.Exception
      • readEFPInBohrCoordinates

        protected void readEFPInBohrCoordinates()
                                         throws java.lang.Exception
        Throws:
        java.lang.Exception
      • readAtomsInBohrCoordinates

        protected void readAtomsInBohrCoordinates()
                                           throws java.lang.Exception
        Specified by:
        readAtomsInBohrCoordinates in class GamessReader
        Throws:
        java.lang.Exception
      • readAtomsInAngstromCoordinates

        private void readAtomsInAngstromCoordinates()
                                             throws java.lang.Exception
        Throws:
        java.lang.Exception
      • fixShellTag

        protected java.lang.String fixShellTag​(java.lang.String tag)
        Specified by:
        fixShellTag in class GamessReader
      • readPartialCharges

        void readPartialCharges()
                         throws java.lang.Exception
        Throws:
        java.lang.Exception
      • readDipoleMoment

        void readDipoleMoment()
                       throws java.lang.Exception
        Throws:
        java.lang.Exception