Data Types
type	isf_cnf_t

type	poisson_isf_t

Functions/Subroutines
subroutine, public	poisson_isf_init (this, namespace, mesh, cube, all_nodes_comm, init_world)

subroutine, public	poisson_isf_solve (this, mesh, cube, pot, rho, all_nodes, sm)

subroutine, public	poisson_isf_end (this)

subroutine	psolver_kernel (n01, n02, n03, nfft1, nfft2, nfft3, hgrid, karray, rhopot)

subroutine	kernel_application (n1, n2, n3, nd1h, nd2, nd3, nfft1, nfft2, nfft3, zarray, karray, inzee)

subroutine	norm_ind (nd1, nd2, nd3, i1, i2, i3, ind)

subroutine	symm_ind (nd1, nd2, nd3, i1, i2, i3, ind)

subroutine	zarray_in (n01, n02, n03, nd1, nd2, nd3, density, zarray)

subroutine	zarray_out (n01, n02, n03, nd1, nd2, nd3, rhopot, zarray, factor)

subroutine	build_kernel (n01, n02, n03, nfft1, nfft2, nfft3, hgrid, itype_scf, karrayout)

subroutine	calculate_dimensions (n01, n02, n03, nfft1, nfft2, nfft3)

subroutine	karrayhalf_in (n01, n02, n03, n1k, n2k, n3k, nfft1, nfft2, nfft3, nd1, nd2, nd3, kernel, karrayhalf)

subroutine	kernel_recon (n1k, n2k, n3k, nfft1, nfft2, nfft3, nd1, nd2, nd3, zarray, karray)

subroutine	par_calculate_dimensions (n01, n02, n03, m1, m2, m3, n1, n2, n3, md1, md2, md3, nd1, nd2, nd3, nproc)

subroutine	par_psolver_kernel (n01, n02, n03, nd1, nd2, nd3, hgrid, kernelLOC, rhopot, iproc, nproc, comm)

subroutine	pconvxc_off (m1, m2, m3, n1, n2, n3, nd1, nd2, nd3, md1, md2, md3, iproc, nproc, rhopot, kernelloc, hgrid, comm)

subroutine	enterdensity (rhopot, m1, m2, m3, md1, md2, md3, iproc, nproc, zf)

subroutine	par_build_kernel (n01, n02, n03, nfft1, nfft2, nfft3, n1k, n2k, n3k, hgrid, itype_scf, iproc, nproc, comm, karrayoutLOC)

subroutine	gequad (n_gauss, p_gauss, w_gauss, ur_gauss, dr_gauss, acc_gauss)

Variables
integer, parameter	serial = 1

integer, parameter	world = 2

integer, parameter	domain = 3

integer, parameter	n_cnf = 3

integer, parameter	order_scaling_function = 8

Function/Subroutine Documentation

◆ poisson_isf_init()

subroutine, public poisson_isf_oct_m::poisson_isf_init	(	type(poisson_isf_t), intent(out)	this,
		type(namespace_t), intent(in), target	namespace,
		type(mesh_t), intent(in)	mesh,
		type(cube_t), intent(inout)	cube,
		type(mpi_comm), intent(in)	all_nodes_comm,
		logical, intent(in), optional	init_world
	)

Definition at line 171 of file poisson_isf.F90.

◆ poisson_isf_solve()

subroutine, public poisson_isf_oct_m::poisson_isf_solve	(	type(poisson_isf_t), intent(in)	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,
		logical, intent(in)	all_nodes,
		type(submesh_t), intent(in), optional	sm
	)

Parameters

[in] sm If present pot and rho are assumed to come from it

Definition at line 312 of file poisson_isf.F90.

◆ poisson_isf_end()

subroutine, public poisson_isf_oct_m::poisson_isf_end ( type(poisson_isf_t), intent(inout) this )

Definition at line 400 of file poisson_isf.F90.

◆ psolver_kernel()

subroutine poisson_isf_oct_m::psolver_kernel	(	integer, intent(in)	n01,
		integer, intent(in)	n02,
		integer, intent(in)	n03,
		integer, intent(in)	nfft1,
		integer, intent(in)	nfft2,
		integer, intent(in)	nfft3,
		real(real64), intent(in)	hgrid,
		real(real64), dimension(nfft1/2 + 1,nfft2/2 + 1, nfft3/2 + 1), intent(in)	karray,
		real(real64), dimension(n01, n02, n03), intent(inout)	rhopot
	)

private

Definition at line 469 of file poisson_isf.F90.

◆ kernel_application()

subroutine poisson_isf_oct_m::kernel_application	(	integer, intent(in)	n1,
		integer, intent(in)	n2,
		integer, intent(in)	n3,
		integer, intent(in)	nd1h,
		integer, intent(in)	nd2,
		integer, intent(in)	nd3,
		integer, intent(in)	nfft1,
		integer, intent(in)	nfft2,
		integer, intent(in)	nfft3,
		real(real64), dimension(1:2, 1:nd1h, 1:nd2, 1:nd3, 1:2), intent(inout)	zarray,
		real(real64), dimension(1:nfft1/2 + 1, 1:nfft2/2 + 1, 1:nfft3/2 + 1), intent(in)	karray,
		integer, intent(in)	inzee
	)

private

Definition at line 554 of file poisson_isf.F90.

◆ norm_ind()

subroutine poisson_isf_oct_m::norm_ind	(	integer	nd1,
		integer	nd2,
		integer	nd3,
		integer	i1,
		integer	i2,
		integer	i3,
		integer	ind
	)

private

Definition at line 1022 of file poisson_isf.F90.

◆ symm_ind()

subroutine poisson_isf_oct_m::symm_ind	(	integer	nd1,
		integer	nd2,
		integer	nd3,
		integer	i1,
		integer	i2,
		integer	i3,
		integer	ind
	)

private

Definition at line 1057 of file poisson_isf.F90.

◆ zarray_in()

subroutine poisson_isf_oct_m::zarray_in	(	integer	n01,
		integer	n02,
		integer	n03,
		integer	nd1,
		integer	nd2,
		integer	nd3,
		real(real64), dimension(n01,n02,n03)	density,
		real(real64), dimension(2,nd1,nd2,nd3)	zarray
	)

private

Definition at line 1090 of file poisson_isf.F90.

◆ zarray_out()

subroutine poisson_isf_oct_m::zarray_out	(	integer, intent(in)	n01,
		integer, intent(in)	n02,
		integer, intent(in)	n03,
		integer, intent(in)	nd1,
		integer, intent(in)	nd2,
		integer, intent(in)	nd3,
		real(real64), dimension(n01,n02,n03), intent(out)	rhopot,
		real(real64), dimension(2*nd1,nd2,nd3), intent(in)	zarray,
		real(real64), intent(in)	factor
	)

private

Definition at line 1145 of file poisson_isf.F90.

◆ build_kernel()

subroutine poisson_isf_oct_m::build_kernel	(	integer, intent(in)	n01,
		integer, intent(in)	n02,
		integer, intent(in)	n03,
		integer, intent(in)	nfft1,
		integer, intent(in)	nfft2,
		integer, intent(in)	nfft3,
		real(real64), intent(in)	hgrid,
		integer, intent(in)	itype_scf,
		real(real64), dimension(nfft1/2+1,nfft2/2+1,nfft3/2+1), intent(out)	karrayout
	)

private

Definition at line 1200 of file poisson_isf.F90.

◆ calculate_dimensions()

subroutine poisson_isf_oct_m::calculate_dimensions	(	integer, intent(in)	n01,
		integer, intent(in)	n02,
		integer, intent(in)	n03,
		integer, intent(out)	nfft1,
		integer, intent(out)	nfft2,
		integer, intent(out)	nfft3
	)

private

Definition at line 1372 of file poisson_isf.F90.

◆ karrayhalf_in()

subroutine poisson_isf_oct_m::karrayhalf_in	(	integer, intent(in)	n01,
		integer, intent(in)	n02,
		integer, intent(in)	n03,
		integer, intent(in)	n1k,
		integer, intent(in)	n2k,
		integer, intent(in)	n3k,
		integer, intent(in)	nfft1,
		integer, intent(in)	nfft2,
		integer, intent(in)	nfft3,
		integer, intent(in)	nd1,
		integer, intent(in)	nd2,
		integer, intent(in)	nd3,
		real(real64), dimension(n1k,n2k,n3k), intent(in)	kernel,
		real(real64), dimension(2,(nd1+1)/2,nd2,nd3), intent(out)	karrayhalf
	)

private

Definition at line 1426 of file poisson_isf.F90.

◆ kernel_recon()

subroutine poisson_isf_oct_m::kernel_recon	(	integer, intent(in)	n1k,
		integer, intent(in)	n2k,
		integer, intent(in)	n3k,
		integer, intent(in)	nfft1,
		integer, intent(in)	nfft2,
		integer, intent(in)	nfft3,
		integer, intent(in)	nd1,
		integer, intent(in)	nd2,
		integer, intent(in)	nd3,
		real(real64), dimension(2,(nd1+1)/2nd2nd3), intent(in)	zarray,
		real(real64), dimension(n1k,n2k,n3k), intent(out)	karray
	)

private

Definition at line 1490 of file poisson_isf.F90.

◆ par_calculate_dimensions()

subroutine poisson_isf_oct_m::par_calculate_dimensions	(	integer, intent(in)	n01,
		integer, intent(in)	n02,
		integer, intent(in)	n03,
		integer, intent(out)	m1,
		integer, intent(out)	m2,
		integer, intent(out)	m3,
		integer, intent(out)	n1,
		integer, intent(out)	n2,
		integer, intent(out)	n3,
		integer, intent(out)	md1,
		integer, intent(out)	md2,
		integer, intent(out)	md3,
		integer, intent(out)	nd1,
		integer, intent(out)	nd2,
		integer, intent(out)	nd3,
		integer, intent(in)	nproc
	)

private

Definition at line 1590 of file poisson_isf.F90.

◆ par_psolver_kernel()

subroutine poisson_isf_oct_m::par_psolver_kernel	(	integer, intent(in)	n01,
		integer, intent(in)	n02,
		integer, intent(in)	n03,
		integer, intent(inout)	nd1,
		integer, intent(inout)	nd2,
		integer, intent(inout)	nd3,
		real(real64), intent(in)	hgrid,
		real(real64), dimension(nd1,nd2,nd3/nproc), intent(in)	kernelLOC,
		real(real64), dimension(n01,n02,n03), intent(inout)	rhopot,
		integer, intent(in)	iproc,
		integer, intent(in)	nproc,
		type(mpi_comm), intent(in)	comm
	)

private

Definition at line 1706 of file poisson_isf.F90.

◆ pconvxc_off()

subroutine poisson_isf_oct_m::pconvxc_off	(	integer, intent(in)	m1,
		integer, intent(in)	m2,
		integer, intent(in)	m3,
		integer, intent(in)	n1,
		integer, intent(in)	n2,
		integer, intent(in)	n3,
		integer, intent(in)	nd1,
		integer, intent(in)	nd2,
		integer, intent(in)	nd3,
		integer, intent(in)	md1,
		integer, intent(in)	md2,
		integer, intent(in)	md3,
		integer, intent(in)	iproc,
		integer, intent(in)	nproc,
		real(real64), dimension(m1,m3,m2), intent(inout)	rhopot,
		real(real64), dimension(nd1,nd2,nd3/nproc), intent(in)	kernelloc,
		real(real64), intent(in)	hgrid,
		type(mpi_comm), intent(in)	comm
	)

private

Definition at line 1762 of file poisson_isf.F90.

◆ enterdensity()

subroutine poisson_isf_oct_m::enterdensity	(	real(real64), dimension(0:m1-1,0:m3-1,0:m2-1), intent(in)	rhopot,
		integer, intent(in)	m1,
		integer, intent(in)	m2,
		integer, intent(in)	m3,
		integer, intent(in)	md1,
		integer, intent(in)	md2,
		integer, intent(in)	md3,
		integer, intent(in)	iproc,
		integer, intent(in)	nproc,
		real(real64), dimension(0:md1-1,0:md3-1,0:md2/nproc-1), intent(out)	zf
	)

private

Definition at line 1844 of file poisson_isf.F90.

◆ par_build_kernel()

subroutine poisson_isf_oct_m::par_build_kernel	(	integer, intent(in)	n01,
		integer, intent(in)	n02,
		integer, intent(in)	n03,
		integer, intent(in)	nfft1,
		integer, intent(in)	nfft2,
		integer, intent(in)	nfft3,
		integer, intent(in)	n1k,
		integer, intent(in)	n2k,
		integer, intent(in)	n3k,
		real(real64), intent(in)	hgrid,
		integer, intent(in)	itype_scf,
		integer, intent(in)	iproc,
		integer, intent(in)	nproc,
		type(mpi_comm), intent(in)	comm,
		real(real64), dimension(1:n1k, 1:n2k, 1:n3k/nproc), intent(out)	karrayoutLOC
	)

private

Definition at line 1913 of file poisson_isf.F90.

◆ gequad()

subroutine poisson_isf_oct_m::gequad	(	integer, intent(in)	n_gauss,
		real(real64), dimension(:), intent(out)	p_gauss,
		real(real64), dimension(:), intent(out)	w_gauss,
		real(real64), intent(out)	ur_gauss,
		real(real64), intent(out)	dr_gauss,
		real(real64), intent(out)	acc_gauss
	)

private

Definition at line 2160 of file poisson_isf.F90.

Variable Documentation

◆ serial

integer, parameter poisson_isf_oct_m::serial = 1

private

Definition at line 144 of file poisson_isf.F90.

◆ world

integer, parameter poisson_isf_oct_m::world = 2

private

Definition at line 145 of file poisson_isf.F90.

◆ domain

integer, parameter poisson_isf_oct_m::domain = 3

private

Definition at line 146 of file poisson_isf.F90.

◆ n_cnf

integer, parameter poisson_isf_oct_m::n_cnf = 3

private

Definition at line 147 of file poisson_isf.F90.

◆ order_scaling_function

integer, parameter poisson_isf_oct_m::order_scaling_function = 8

private

Definition at line 165 of file poisson_isf.F90.

Data Types

Functions/Subroutines

Variables

Function/Subroutine Documentation

◆ poisson_isf_init()

◆ poisson_isf_solve()

◆ poisson_isf_end()

◆ psolver_kernel()

◆ kernel_application()

◆ norm_ind()

◆ symm_ind()

◆ zarray_in()

◆ zarray_out()

◆ build_kernel()

◆ calculate_dimensions()

◆ karrayhalf_in()

◆ kernel_recon()

◆ par_calculate_dimensions()

◆ par_psolver_kernel()

◆ pconvxc_off()

◆ enterdensity()

◆ par_build_kernel()

◆ gequad()

Variable Documentation

◆ serial

◆ world

◆ domain

◆ n_cnf

◆ order_scaling_function