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11.1.7 grid_set_gradient: set gradient
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11.1 Setting up the
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11.1.5 grid_set_voronoi: set parameters
11.1.6 grid_set_type: set quadrature type
subroutine grid_get_type (record,iquadtyp)
iquadtyp
=1 means standard Becke-Voronoi;
iquadtyp
=2 means alternative scheme based on pair partioning (not fully implemented at present).
P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Jan 10, 2000