Class SiestaReader

  • All Implemented Interfaces:
    javajs.api.GenericLineReader

    public class SiestaReader
    extends AtomSetCollectionReader
    SIESTA http://www.icmab.es/siesta/
    Version:
    1.0
    Author:
    Pieremanuele Canepa, Room 104, FM Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom, pc229@kent.ac.uk
    • Field Detail

      • noAtoms

        private int noAtoms
      • unitCellData

        private float[] unitCellData
    • Constructor Detail

      • SiestaReader

        public SiestaReader()
    • Method Detail

      • 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
      • setCell

        private void setCell()
                      throws java.lang.Exception
        Throws:
        java.lang.Exception
      • readCellThenAtomsCartesian

        private void readCellThenAtomsCartesian()
                                         throws java.lang.Exception
        Throws:
        java.lang.Exception
      • newAtomSet

        private void newAtomSet()
                         throws java.lang.Exception
        Throws:
        java.lang.Exception
      • readAtomsCartGeomThenCell

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