Class AimsReader

  • All Implemented Interfaces:
    javajs.api.GenericLineReader

    public class AimsReader
    extends AtomSetCollectionReader
    FHI-aims (http://www.fhi-berlin.mpg.de/aims) geometry.in file format samples of relevant lines in geometry.in file are included as comments below modified (May 1, 2011, hansonr@stolaf.edu) to account for atom/atom_frac lines and to bring it into compliance with other load options (such as overriding file-based symmetry or unit cell parameters).
    Version:
    1.3
    Author:
    Joerg Meyer, TU Muenchen 2011 (joerg.meyer@ch.tum.de)
    • Field Detail

      • globalDoApplySymmetry

        private boolean globalDoApplySymmetry
      • isFractional

        private boolean isFractional
      • nLatticeVectors

        private int nLatticeVectors
    • Constructor Detail

      • AimsReader

        public AimsReader()
    • Method Detail

      • readLatticeVector

        private void readLatticeVector​(java.lang.String[] tokens)
      • readAtom

        private void readAtom​(java.lang.String[] tokens,
                              boolean isFractional)
      • readMultipole

        private void readMultipole​(java.lang.String[] tokens)