ps_in_grid.F90 File Reference

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Modules
module	ps_in_grid_oct_m

Data Types
type	ps_in_grid_oct_m::ps_in_grid_t

Functions/Subroutines
subroutine, public	ps_in_grid_oct_m::ps_in_grid_init (ps, flavor, a, b, nrval, no_l, so_no_l)
subroutine, public	ps_in_grid_oct_m::ps_in_grid_end (ps)
subroutine, public	ps_in_grid_oct_m::ps_in_grid_vlocal (ps, l_loc, rcore, namespace)
subroutine, public	ps_in_grid_oct_m::ps_in_grid_kb_projectors (ps)
	KB-projectors kb = (vps - vlocal) |phi> * dknorm. More...
subroutine, public	ps_in_grid_oct_m::ps_in_grid_kb_cosines (ps, lloc)
	KB-cosines and KB-norms: dkbcos stores the KB "cosines:" || (v_l - v_local) phi_l ||^2 / < (v_l - v_local)phi_l | phi_l > [Rydberg] dknorm stores the KB "norms:" 1 / || (v_l - v_local) phi_l || [1/Rydberg]. More...
subroutine, public	ps_in_grid_oct_m::ps_in_grid_cutoff_radii (ps, lloc)
subroutine, public	ps_in_grid_oct_m::ps_in_grid_check_rphi (ps, namespace)
	checks normalization of the pseudo wavefunctions More...
real(real64) function, public	ps_in_grid_oct_m::first_point_extrapolate (x, y, high_order)