poisson_psolver_oct_m Module Reference

Data Types
type	poisson_psolver_t

Functions/Subroutines
subroutine, public	poisson_psolver_init (this, namespace, space, cube, mu, qq, force_isolated)
subroutine, public	poisson_psolver_end (this)
subroutine, public	poisson_psolver_reinit (this, space, cube, coulb, qq_in)
subroutine, public	poisson_psolver_parallel_solve (this, mesh, cube, pot, rho, mesh_cube_map)
subroutine, public	poisson_psolver_global_solve (this, mesh, cube, pot, rho, sm)
subroutine, public	poisson_psolver_get_dims (this, cube)

Variables
real(real64), parameter	tol_vanishing_q = 1e-6_real64

Function/Subroutine Documentation

poisson_psolver_init()

subroutine, public poisson_psolver_oct_m::poisson_psolver_init	(	type(poisson_psolver_t), intent(out)	this,
		type(namespace_t), intent(in)	namespace,
		class(space_t), intent(in)	space,
		type(cube_t), intent(inout)	cube,
		real(real64), intent(in)	mu,
		real(real64), dimension(:), intent(in)	qq,
		logical, intent(in), optional	force_isolated
	)

Definition at line 189 of file poisson_psolver.F90.

poisson_psolver_end()

subroutine, public poisson_psolver_oct_m::poisson_psolver_end

(

type(poisson_psolver_t), intent(inout)

this

)

Definition at line 263 of file poisson_psolver.F90.

poisson_psolver_reinit()

subroutine, public poisson_psolver_oct_m::poisson_psolver_reinit	(	type(poisson_psolver_t), intent(inout)	this,
		class(space_t), intent(in)	space,
		type(cube_t), intent(inout)	cube,
		type(fourier_space_op_t), intent(inout)	coulb,
		real(real64), dimension(:), intent(in)	qq_in
	)

Definition at line 278 of file poisson_psolver.F90.

poisson_psolver_parallel_solve()

subroutine, public poisson_psolver_oct_m::poisson_psolver_parallel_solve	(	type(poisson_psolver_t), intent(in), target	this,
		type(mesh_t), intent(in)	mesh,
		type(cube_t), intent(in)	cube,
		real(real64), dimension(:), intent(out)	pot,
		real(real64), dimension(:), intent(in)	rho,
		type(mesh_cube_parallel_map_t), intent(in)	mesh_cube_map
	)

pot_ion: additional external potential that is added to the output when the XC parameter ixc/=0 and sumpion=.true. When sumpion=.true., it is always provided in the distributed form, clearly without the overlapping terms which are needed only for the XC part

Definition at line 336 of file poisson_psolver.F90.

poisson_psolver_global_solve()

subroutine, public poisson_psolver_oct_m::poisson_psolver_global_solve	(	type(poisson_psolver_t), intent(in), target	this,
		type(mesh_t), intent(in)	mesh,
		type(cube_t), intent(in)	cube,
		real(real64), dimension(:), intent(out), contiguous	pot,
		real(real64), dimension(:), intent(in), contiguous	rho,
		type(submesh_t), intent(in), optional	sm
	)

Parameters

[in]

sm

If present pot and rho are assumed to come from it

pot_ion: additional external potential that is added to the output when the XC parameter ixc/=0 and sumpion=.true. When sumpion=.true., it is always provided in the distributed form, clearly without the overlapping terms which are needed only for the XC part

Definition at line 384 of file poisson_psolver.F90.

poisson_psolver_get_dims()

subroutine, public poisson_psolver_oct_m::poisson_psolver_get_dims	(	type(poisson_psolver_t), intent(inout)	this,
		type(cube_t), intent(inout)	cube
	)

Definition at line 437 of file poisson_psolver.F90.

Variable Documentation

tol_vanishing_q

real(real64), parameter poisson_psolver_oct_m::tol_vanishing_q = 1e-6_real64

private

Definition at line 184 of file poisson_psolver.F90.