ps_in_grid_oct_m Module Reference

Data Types
type	ps_in_grid_t

Functions/Subroutines
subroutine, public	ps_in_grid_init (ps, flavor, a, b, nrval, no_l, so_no_l)
subroutine, public	ps_in_grid_end (ps)
subroutine, public	ps_in_grid_vlocal (ps, l_loc, rcore, namespace)
subroutine, public	ps_in_grid_kb_projectors (ps)
	KB-projectors kb = (vps - vlocal) |phi> * dknorm. More...
subroutine, public	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_cutoff_radii (ps, lloc)
subroutine, public	ps_in_grid_check_rphi (ps, namespace)
	checks normalization of the pseudo wavefunctions More...
real(real64) function, public	first_point_extrapolate (x, y, high_order)

Function/Subroutine Documentation

ps_in_grid_init()

subroutine, public ps_in_grid_oct_m::ps_in_grid_init	(	type(ps_in_grid_t), intent(out)	ps,
		integer, intent(in)	flavor,
		real(real64), intent(in)	a,
		real(real64), intent(in)	b,
		integer, intent(in)	nrval,
		integer, intent(in)	no_l,
		integer, intent(in)	so_no_l
	)

Definition at line 168 of file ps_in_grid.F90.

ps_in_grid_end()

subroutine, public ps_in_grid_oct_m::ps_in_grid_end

(

type(ps_in_grid_t), intent(inout)

ps

)

Definition at line 207 of file ps_in_grid.F90.

ps_in_grid_vlocal()

subroutine, public ps_in_grid_oct_m::ps_in_grid_vlocal	(	type(ps_in_grid_t), intent(inout)	ps,
		integer, intent(in)	l_loc,
		real(real64), intent(in)	rcore,
		type(namespace_t), intent(in)	namespace
	)

Definition at line 237 of file ps_in_grid.F90.

ps_in_grid_kb_projectors()

subroutine, public ps_in_grid_oct_m::ps_in_grid_kb_projectors

(

type(ps_in_grid_t), intent(inout)

ps

)

KB-projectors kb = (vps - vlocal) |phi> * dknorm.

Definition at line 283 of file ps_in_grid.F90.

ps_in_grid_kb_cosines()

subroutine, public ps_in_grid_oct_m::ps_in_grid_kb_cosines	(	type(ps_in_grid_t), intent(inout)	ps,
		integer, intent(in)	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].

Definition at line 312 of file ps_in_grid.F90.

ps_in_grid_cutoff_radii()

subroutine, public ps_in_grid_oct_m::ps_in_grid_cutoff_radii	(	type(ps_in_grid_t), intent(inout)	ps,
		integer, intent(in)	lloc
	)

Definition at line 357 of file ps_in_grid.F90.

ps_in_grid_check_rphi()

subroutine, public ps_in_grid_oct_m::ps_in_grid_check_rphi	(	type(ps_in_grid_t), intent(in)	ps,
		type(namespace_t), intent(in)	namespace
	)

checks normalization of the pseudo wavefunctions

Definition at line 411 of file ps_in_grid.F90.

first_point_extrapolate()

real(real64) function, public ps_in_grid_oct_m::first_point_extrapolate	(	real(real64), dimension(:), intent(in)	x,
		real(real64), dimension(:), intent(in)	y,
		logical, intent(in), optional	high_order
	)

Definition at line 436 of file ps_in_grid.F90.