Next: 11.1.10 grid_input: read grid Up: 11.1 Setting up the Previous: 11.1.8 grid_set_save: store grid

11.1.9 grid_set_symmetry: use symmetry in grid

      subroutine grid_get_symmetry (record,use_sym)
      subroutine grid_set_symmetry (record,use_sym)
      implicit double precision (a-h,o-z)
      logical use_sym
If use_sym is true, then point group symmetry will be exploited by eliminating symmetry-equivalent points, and transferring their weight to the single symmetry-unique point.

P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Jan 10, 2000