pw_poisson_types Module Reference

functions related to the poisson solver on regular grids More...

Data Types
type	greens_fn_type
	contains all the informations needed by the fft based poisson solvers More...
type	pw_poisson_parameter_type
	parameters for the poisson solver independet of input_section More...
type	pw_poisson_type
	environment for the poisson solver More...

Functions/Subroutines
subroutine, public	pw_green_create (green, poisson_params, cell_hmat, pw_pool, mt_super_ref_pw_grid, dct_pw_grid)
	Allocates and sets up the green functions for the fft based poisson solvers.
subroutine, public	pw_green_release (gftype, pw_pool)
	destroys the type (deallocates data)

Variables
integer, parameter, public	pw_poisson_none = 0
integer, parameter, public	pw_poisson_periodic = 1
integer, parameter, public	pw_poisson_analytic = 2
integer, parameter, public	pw_poisson_mt = 3
integer, parameter, public	pw_poisson_hockney = 5
integer, parameter, public	pw_poisson_multipole = 4
integer, parameter, public	pw_poisson_wavelet = 6
integer, parameter, public	pw_poisson_implicit = 7
integer, parameter, public	do_ewald_none = 1
integer, parameter, public	do_ewald_ewald = 2
integer, parameter, public	do_ewald_pme = 3
integer, parameter, public	do_ewald_spme = 4
integer, parameter, public	periodic3d = 1000
integer, parameter, public	analytic2d = 1001
integer, parameter, public	analytic1d = 1002
integer, parameter, public	analytic0d = 1003
integer, parameter, public	hockney2d = 1201
integer, parameter, public	hockney1d = 1202
integer, parameter, public	hockney0d = 1203
integer, parameter, public	multipole2d = 1301
integer, parameter, public	multipole1d = 1302
integer, parameter, public	multipole0d = 1303
integer, parameter, public	ps_implicit = 1400

Detailed Description

functions related to the poisson solver on regular grids

History

greens_fn: JGH (9-Mar-2001) : include influence_fn into greens_fn_type add cell volume as indicator for updates greens_fn: JGH (30-Mar-2001) : Added B-spline routines pws : JGH (13-Mar-2001) : new pw_poisson_solver, delete pw_greens_fn 12.2004 condensed from pws, greens_fn and green_fns, by apsi and JGH, made thread safe, new input [fawzi] 14-Mar-2006 : added short range screening function for SE codes

Author

fawzi

Function/Subroutine Documentation

pw_green_create()

subroutine, public pw_poisson_types::pw_green_create	(	type(greens_fn_type), intent(out)	green,
		type(pw_poisson_parameter_type), intent(in)	poisson_params,
		real(kind=dp), dimension(3, 3), intent(in)	cell_hmat,
		type(pw_pool_type), pointer	pw_pool,
		type(pw_grid_type), pointer	mt_super_ref_pw_grid,
		type(pw_grid_type), pointer	dct_pw_grid
	)

Allocates and sets up the green functions for the fft based poisson solvers.

Parameters

green	...
poisson_params	...
cell_hmat	...
pw_pool	...
mt_super_ref_pw_grid	...
dct_pw_grid	...

Author

Fawzi, based on previous functions by JGH and Teo

Definition at line 180 of file pw_poisson_types.F.

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pw_green_release()

subroutine, public pw_poisson_types::pw_green_release	(	type(greens_fn_type), intent(inout)	gftype,
		type(pw_pool_type), optional, pointer	pw_pool
	)

destroys the type (deallocates data)

Parameters

gftype	...
pw_pool	...

History

none

Author

Joost VandeVondele Teodoro Laino

Definition at line 417 of file pw_poisson_types.F.

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Variable Documentation

pw_poisson_none

integer, parameter, public pw_poisson_types::pw_poisson_none = 0

Definition at line 66 of file pw_poisson_types.F.

pw_poisson_periodic

integer, parameter, public pw_poisson_types::pw_poisson_periodic = 1

Definition at line 66 of file pw_poisson_types.F.

pw_poisson_analytic

integer, parameter, public pw_poisson_types::pw_poisson_analytic = 2

Definition at line 66 of file pw_poisson_types.F.

pw_poisson_mt

integer, parameter, public pw_poisson_types::pw_poisson_mt = 3

Definition at line 66 of file pw_poisson_types.F.

pw_poisson_hockney

integer, parameter, public pw_poisson_types::pw_poisson_hockney = 5

Definition at line 66 of file pw_poisson_types.F.

pw_poisson_multipole

integer, parameter, public pw_poisson_types::pw_poisson_multipole = 4

Definition at line 66 of file pw_poisson_types.F.

pw_poisson_wavelet

integer, parameter, public pw_poisson_types::pw_poisson_wavelet = 6

Definition at line 66 of file pw_poisson_types.F.

pw_poisson_implicit

integer, parameter, public pw_poisson_types::pw_poisson_implicit = 7

Definition at line 66 of file pw_poisson_types.F.

do_ewald_none

integer, parameter, public pw_poisson_types::do_ewald_none = 1

Definition at line 75 of file pw_poisson_types.F.

do_ewald_ewald

integer, parameter, public pw_poisson_types::do_ewald_ewald = 2

Definition at line 75 of file pw_poisson_types.F.

do_ewald_pme

integer, parameter, public pw_poisson_types::do_ewald_pme = 3

Definition at line 75 of file pw_poisson_types.F.

do_ewald_spme

integer, parameter, public pw_poisson_types::do_ewald_spme = 4

Definition at line 75 of file pw_poisson_types.F.

periodic3d

integer, parameter, public pw_poisson_types::periodic3d = 1000

Definition at line 80 of file pw_poisson_types.F.

analytic2d

integer, parameter, public pw_poisson_types::analytic2d = 1001

Definition at line 80 of file pw_poisson_types.F.

analytic1d

integer, parameter, public pw_poisson_types::analytic1d = 1002

Definition at line 80 of file pw_poisson_types.F.

analytic0d

integer, parameter, public pw_poisson_types::analytic0d = 1003

Definition at line 80 of file pw_poisson_types.F.

hockney2d

integer, parameter, public pw_poisson_types::hockney2d = 1201

Definition at line 80 of file pw_poisson_types.F.

hockney1d

integer, parameter, public pw_poisson_types::hockney1d = 1202

Definition at line 80 of file pw_poisson_types.F.

hockney0d

integer, parameter, public pw_poisson_types::hockney0d = 1203

Definition at line 80 of file pw_poisson_types.F.

multipole2d

integer, parameter, public pw_poisson_types::multipole2d = 1301

Definition at line 80 of file pw_poisson_types.F.

multipole1d

integer, parameter, public pw_poisson_types::multipole1d = 1302

Definition at line 80 of file pw_poisson_types.F.

multipole0d

integer, parameter, public pw_poisson_types::multipole0d = 1303

Definition at line 80 of file pw_poisson_types.F.

ps_implicit

integer, parameter, public pw_poisson_types::ps_implicit = 1400

Definition at line 80 of file pw_poisson_types.F.