Next: 11.1.3 grid_set_radial: set parameters Up: 11.1 Setting up the Previous: 11.1.1 grid_create: initialize new

11.1.2 grid_set_thresh: set target accuracy

      subroutine grid_get_accuracy (record,thresh)
      subroutine grid_set_accuracy (record,thresh)
      implicit double precision (a-h,o-z)
Specify the target accuracy of integration. Radial and angular grids are generated adaptively with the aim of integrating the Slater-Dirac functional to the specified accuracy.

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