Class MopacArchiveReader

  • All Implemented Interfaces:
    javajs.api.GenericLineReader

    public class MopacArchiveReader
    extends InputReader
    Mopac Archive reader -- presumes "zMatrix" is really Cartesians use FILTER "NOCENTER" to NOT center atoms in unit cell use CENTROID for complete molecules with centroids within unit cell use PACKED CENTROID for complete molecules with any atoms within unit cell
    Author:
    Bob Hanson hansonr@stolaf.edu