Class GamessReader

    • Field Detail

      • atomNames

        protected javajs.util.Lst<String> atomNames
      • isTypeSet

        private boolean isTypeSet
    • Constructor Detail

      • GamessReader

        public GamessReader()
    • Method Detail

      • readAtomsInBohrCoordinates

        protected abstract void readAtomsInBohrCoordinates()
                                                    throws Exception
        Throws:
        Exception
      • readEnergy

        protected void readEnergy()
      • fixShellTag

        protected abstract String fixShellTag​(String tag)
      • fixBasisLine

        protected static String fixBasisLine​(String line)
      • setCalculationType

        protected void setCalculationType()