submesh_oct_m Module Reference

Data Types
interface	submesh_add_to_mesh
type	submesh_t
	A submesh is a type of mesh, used for the projectors in the pseudopotentials It contains points on a regular mesh confined to a sphere of a given radius. More...
interface	submesh_to_mesh_dotp

Functions/Subroutines
recursive real(real64) function	f_n (dims)
subroutine, public	submesh_init (this, space, mesh, latt, center, rc)
subroutine	submesh_get_vol_pp (this)
	Gather the per-point volume elements of the sphere from the mesh. More...
subroutine	submesh_reorder_points (this, space, xtmp, rtmp)
subroutine, public	submesh_merge (this, space, mesh, sm1, sm2, shift)
subroutine, public	submesh_shift_center (this, space, newcenter)
subroutine, public	submesh_broadcast (this, space, mesh, center, radius, root, mpi_grp)
logical function, public	submesh_compatible (this, radius, center, dx)
subroutine, public	submesh_end (this)
logical function, public	submesh_overlap (sm1, sm2, space)
subroutine, public	submesh_build_global (this, space)
subroutine, public	submesh_end_global (this)
subroutine	zzsubmesh_add_to_mesh (this, sphi, phi, factor)
complex(real64) function	zzsubmesh_to_mesh_dotp (this, sphi, phi, reduce)
subroutine, public	submesh_get_cube_dim (sm, space, db)
	finds the dimension of a box containing the submesh More...
subroutine, public	submesh_init_cube_map (sm, space)
subroutine, public	submesh_end_cube_map (sm)
subroutine, public	dzsubmesh_batch_add (this, ss, mm)
	The following function takes a batch of functions defined in submesh (ss) and adds one of them to each of the mesh functions in other batch (mm). Each one is multiplied by a factor given by the array factor. In this version of the routine, the submesh batch is real and the mesh batch is complex. More...
real(real64) function, public	dsm_integrate (mesh, sm, ff, reduce)
real(real64) function, public	dsm_integrate_frommesh (mesh, sm, ff, reduce)
subroutine	ddsubmesh_add_to_mesh (this, sphi, phi, factor)
subroutine, public	dsubmesh_copy_from_mesh (this, phi, sphi, conjugate)
real(real64) function, public	dsm_nrm2 (sm, ff, reduce)
	this function returns the the norm of a vector More...
real(real64) function, public	dsubmesh_dotp (this, f1, f2, reduce)
	dot product of two functions defined on the submesh More...
real(real64) function	ddsubmesh_to_mesh_dotp (this, sphi, phi, reduce)
subroutine, public	dsubmesh_batch_add_matrix (this, factor, ss, mm)
	The following functions takes a batch of functions defined in submesh (ss) and adds all of them to each of the mesh functions in other batch (mm). Each one is multiplied by a factor given by the array 'factor'. More...
subroutine, public	dsubmesh_batch_add (this, ss, mm)
	The following function takes a batch of functions defined in submesh (ss) and adds one of them to each of the mesh functions in other batch (mm). Each one is multiplied by a factor given by the array factor. More...
subroutine, public	dsubmesh_batch_dotp_matrix (this, mm, ss, dot, reduce)
complex(real64) function, public	zsm_integrate (mesh, sm, ff, reduce)
complex(real64) function, public	zsm_integrate_frommesh (mesh, sm, ff, reduce)
subroutine	zdsubmesh_add_to_mesh (this, sphi, phi, factor)
subroutine, public	zsubmesh_copy_from_mesh (this, phi, sphi, conjugate)
real(real64) function, public	zsm_nrm2 (sm, ff, reduce)
	this function returns the the norm of a vector More...
complex(real64) function, public	zsubmesh_dotp (this, f1, f2, reduce)
	dot product of two functions defined on the submesh More...
complex(real64) function	zdsubmesh_to_mesh_dotp (this, sphi, phi, reduce)
subroutine, public	zsubmesh_batch_add_matrix (this, factor, ss, mm)
	The following functions takes a batch of functions defined in submesh (ss) and adds all of them to each of the mesh functions in other batch (mm). Each one is multiplied by a factor given by the array 'factor'. More...
subroutine, public	zsubmesh_batch_add (this, ss, mm)
	The following function takes a batch of functions defined in submesh (ss) and adds one of them to each of the mesh functions in other batch (mm). Each one is multiplied by a factor given by the array factor. More...
subroutine, public	zsubmesh_batch_dotp_matrix (this, mm, ss, dot, reduce)

Function/Subroutine Documentation

f_n()

recursive real(real64) function submesh_oct_m::f_n ( integer  dims )

private

Definition at line 215 of file submesh.F90.

submesh_init()

subroutine, public submesh_oct_m::submesh_init	(	type(submesh_t), intent(inout)	this,
		class(space_t), intent(in)	space,
		class(mesh_t), intent(in), target	mesh,
		type(lattice_vectors_t), intent(in)	latt,
		real(real64), dimension(1:space%dim), intent(in)	center,
		real(real64), intent(in)	rc
	)

Definition at line 229 of file submesh.F90.

submesh_get_vol_pp()

subroutine submesh_oct_m::submesh_get_vol_pp ( type(submesh_t), intent(inout)  this )

private

Gather the per-point volume elements of the sphere from the mesh.

The submesh arrays are in submesh order, so the weights have to be taken at the mesh point each sphere point maps to.

Definition at line 393 of file submesh.F90.

submesh_reorder_points()

subroutine submesh_oct_m::submesh_reorder_points ( type(submesh_t), intent(inout)  this, class(space_t), intent(in)  space, real(real64), dimension(:, :), intent(in), contiguous  xtmp, real(real64), dimension(:), intent(in), contiguous  rtmp  )

private

Definition at line 412 of file submesh.F90.

submesh_merge()

subroutine, public submesh_oct_m::submesh_merge	(	type(submesh_t), intent(inout)	this,
		class(space_t), intent(in)	space,
		class(mesh_t), intent(in), target	mesh,
		type(submesh_t), intent(in)	sm1,
		type(submesh_t), intent(in)	sm2,
		real(real64), dimension(:), intent(in), optional	shift
	)

Parameters

[in,out]	this	valgrind objects to intent(out) due to the initializations above
[in]	shift	If present, shifts the center of sm2

Definition at line 538 of file submesh.F90.

submesh_shift_center()

subroutine, public submesh_oct_m::submesh_shift_center	(	type(submesh_t), intent(inout)	this,
		class(space_t), intent(in)	space,
		real(real64), dimension(:), intent(in)	newcenter
	)

Definition at line 606 of file submesh.F90.

submesh_broadcast()

subroutine, public submesh_oct_m::submesh_broadcast	(	type(submesh_t), intent(inout)	this,
		class(space_t), intent(in)	space,
		type(mesh_t), intent(in), target	mesh,
		real(real64), dimension(1:space%dim), intent(in)	center,
		real(real64), intent(in)	radius,
		integer, intent(in)	root,
		type(mpi_grp_t), intent(in)	mpi_grp
	)

Definition at line 633 of file submesh.F90.

submesh_compatible()

logical function, public submesh_oct_m::submesh_compatible	(	type(submesh_t), intent(in)	this,
		real(real64), intent(in)	radius,
		real(real64), dimension(:), intent(in)	center,
		real(real64), intent(in)	dx
	)

At the moment the center check doesnt matter because everywhere submeshes are recycled at the moment, between uses, the position doesnt change

Definition at line 695 of file submesh.F90.

submesh_end()

subroutine, public submesh_oct_m::submesh_end

(

type(submesh_t), intent(inout)

this

)

Definition at line 713 of file submesh.F90.

submesh_overlap()

logical function, public submesh_oct_m::submesh_overlap	(	type(submesh_t), intent(in)	sm1,
		type(submesh_t), intent(in)	sm2,
		class(space_t), intent(in)	space
	)

Definition at line 739 of file submesh.F90.

submesh_build_global()

subroutine, public submesh_oct_m::submesh_build_global	(	type(submesh_t), intent(inout)	this,
		class(space_t), intent(in)	space
	)

Definition at line 782 of file submesh.F90.

submesh_end_global()

subroutine, public submesh_oct_m::submesh_end_global

(

type(submesh_t), intent(inout)

this

)

Definition at line 833 of file submesh.F90.

zzsubmesh_add_to_mesh()

subroutine submesh_oct_m::zzsubmesh_add_to_mesh ( type(submesh_t), intent(in)  this, complex(real64), dimension(:), intent(in), contiguous  sphi, complex(real64), dimension(:), intent(inout), contiguous  phi, complex(real64), intent(in), optional  factor  )

private

Definition at line 848 of file submesh.F90.

zzsubmesh_to_mesh_dotp()

complex(real64) function submesh_oct_m::zzsubmesh_to_mesh_dotp ( type(submesh_t), intent(in)  this, complex(real64), dimension(:), intent(in), contiguous  sphi, complex(real64), dimension(:), intent(in), contiguous  phi, logical, intent(in), optional  reduce  )

private

Definition at line 891 of file submesh.F90.

submesh_get_cube_dim()

subroutine, public submesh_oct_m::submesh_get_cube_dim	(	type(submesh_t), intent(in), target	sm,
		class(space_t), intent(in)	space,
		integer, dimension(1:space%dim), intent(out)	db
	)

finds the dimension of a box containing the submesh

Definition at line 934 of file submesh.F90.

submesh_init_cube_map()

subroutine, public submesh_oct_m::submesh_init_cube_map	(	type(submesh_t), intent(inout), target	sm,
		class(space_t), intent(in)	space
	)

Definition at line 969 of file submesh.F90.

submesh_end_cube_map()

subroutine, public submesh_oct_m::submesh_end_cube_map

(

type(submesh_t), intent(inout)

sm

)

Definition at line 1008 of file submesh.F90.

dzsubmesh_batch_add()

subroutine, public submesh_oct_m::dzsubmesh_batch_add	(	type(submesh_t), intent(in)	this,
		class(batch_t), intent(in)	ss,
		class(batch_t), intent(inout)	mm
	)

The following function takes a batch of functions defined in submesh (ss) and adds one of them to each of the mesh functions in other batch (mm). Each one is multiplied by a factor given by the array factor. In this version of the routine, the submesh batch is real and the mesh batch is complex.

Definition at line 1024 of file submesh.F90.

dsm_integrate()

real(real64) function, public submesh_oct_m::dsm_integrate	(	class(mesh_t), intent(in)	mesh,
		type(submesh_t), intent(in)	sm,
		real(real64), dimension(:), intent(in), optional, contiguous	ff,
		logical, intent(in), optional	reduce
	)

Definition at line 1128 of file submesh.F90.

dsm_integrate_frommesh()

real(real64) function, public submesh_oct_m::dsm_integrate_frommesh	(	type(mesh_t), intent(in)	mesh,
		type(submesh_t), intent(in)	sm,
		real(real64), dimension(:), intent(in), optional, contiguous	ff,
		logical, intent(in), optional	reduce
	)

Definition at line 1173 of file submesh.F90.

ddsubmesh_add_to_mesh()

subroutine submesh_oct_m::ddsubmesh_add_to_mesh ( type(submesh_t), intent(in)  this, real(real64), dimension(:), intent(in), contiguous  sphi, real(real64), dimension(:), intent(inout), contiguous  phi, real(real64), intent(in), optional  factor  )

private

Definition at line 1218 of file submesh.F90.

dsubmesh_copy_from_mesh()

subroutine, public submesh_oct_m::dsubmesh_copy_from_mesh	(	type(submesh_t), intent(in)	this,
		real(real64), dimension(:), intent(in), contiguous	phi,
		real(real64), dimension(:), intent(out), contiguous	sphi,
		logical, intent(in), optional	conjugate
	)

Definition at line 1266 of file submesh.F90.

dsm_nrm2()

real(real64) function, public submesh_oct_m::dsm_nrm2	(	type(submesh_t), intent(in)	sm,
		real(real64), dimension(:), intent(in), contiguous	ff,
		logical, intent(in), optional	reduce
	)

this function returns the the norm of a vector

Definition at line 1296 of file submesh.F90.

dsubmesh_dotp()

real(real64) function, public submesh_oct_m::dsubmesh_dotp	(	type(submesh_t), intent(in)	this,
		real(real64), dimension(:), intent(in)	f1,
		real(real64), dimension(:), intent(in)	f2,
		logical, intent(in), optional	reduce
	)

dot product of two functions defined on the submesh

Both arrays are in submesh order, so the per-point volume elements are the ones gathered on the sphere. dmf_dotp with np= cannot be used in that case, as it would index meshvol_pp by the submesh index instead of the mesh index.

Definition at line 1336 of file submesh.F90.

ddsubmesh_to_mesh_dotp()

real(real64) function submesh_oct_m::ddsubmesh_to_mesh_dotp ( type(submesh_t), intent(in)  this, real(real64), dimension(:), intent(in), contiguous  sphi, real(real64), dimension(:), intent(in), contiguous  phi, logical, intent(in), optional  reduce  )

private

Definition at line 1380 of file submesh.F90.

dsubmesh_batch_add_matrix()

subroutine, public submesh_oct_m::dsubmesh_batch_add_matrix	(	type(submesh_t), intent(in)	this,
		real(real64), dimension(:, :), intent(in)	factor,
		class(batch_t), intent(in)	ss,
		class(batch_t), intent(inout)	mm
	)

The following functions takes a batch of functions defined in submesh (ss) and adds all of them to each of the mesh functions in other batch (mm). Each one is multiplied by a factor given by the array 'factor'.

Definition at line 1425 of file submesh.F90.

dsubmesh_batch_add()

subroutine, public submesh_oct_m::dsubmesh_batch_add	(	type(submesh_t), intent(in)	this,
		class(batch_t), intent(in)	ss,
		class(batch_t), intent(inout)	mm
	)

The following function takes a batch of functions defined in submesh (ss) and adds one of them to each of the mesh functions in other batch (mm). Each one is multiplied by a factor given by the array factor.

Definition at line 1518 of file submesh.F90.

dsubmesh_batch_dotp_matrix()

subroutine, public submesh_oct_m::dsubmesh_batch_dotp_matrix	(	type(submesh_t), intent(in)	this,
		class(batch_t), intent(in)	mm,
		class(batch_t), intent(in)	ss,
		real(real64), dimension(:, :), intent(inout), contiguous	dot,
		logical, intent(in), optional	reduce
	)

Definition at line 1570 of file submesh.F90.

zsm_integrate()

complex(real64) function, public submesh_oct_m::zsm_integrate	(	class(mesh_t), intent(in)	mesh,
		type(submesh_t), intent(in)	sm,
		complex(real64), dimension(:), intent(in), optional, contiguous	ff,
		logical, intent(in), optional	reduce
	)

Definition at line 1729 of file submesh.F90.

zsm_integrate_frommesh()

complex(real64) function, public submesh_oct_m::zsm_integrate_frommesh	(	type(mesh_t), intent(in)	mesh,
		type(submesh_t), intent(in)	sm,
		complex(real64), dimension(:), intent(in), optional, contiguous	ff,
		logical, intent(in), optional	reduce
	)

Definition at line 1774 of file submesh.F90.

zdsubmesh_add_to_mesh()

subroutine submesh_oct_m::zdsubmesh_add_to_mesh ( type(submesh_t), intent(in)  this, real(real64), dimension(:), intent(in), contiguous  sphi, complex(real64), dimension(:), intent(inout), contiguous  phi, complex(real64), intent(in), optional  factor  )

private

Definition at line 1819 of file submesh.F90.

zsubmesh_copy_from_mesh()

subroutine, public submesh_oct_m::zsubmesh_copy_from_mesh	(	type(submesh_t), intent(in)	this,
		complex(real64), dimension(:), intent(in), contiguous	phi,
		complex(real64), dimension(:), intent(out), contiguous	sphi,
		logical, intent(in), optional	conjugate
	)

Definition at line 1867 of file submesh.F90.

zsm_nrm2()

real(real64) function, public submesh_oct_m::zsm_nrm2	(	type(submesh_t), intent(in)	sm,
		complex(real64), dimension(:), intent(in), contiguous	ff,
		logical, intent(in), optional	reduce
	)

this function returns the the norm of a vector

Definition at line 1897 of file submesh.F90.

zsubmesh_dotp()

complex(real64) function, public submesh_oct_m::zsubmesh_dotp	(	type(submesh_t), intent(in)	this,
		complex(real64), dimension(:), intent(in)	f1,
		complex(real64), dimension(:), intent(in)	f2,
		logical, intent(in), optional	reduce
	)

dot product of two functions defined on the submesh

Both arrays are in submesh order, so the per-point volume elements are the ones gathered on the sphere. zmf_dotp with np= cannot be used in that case, as it would index meshvol_pp by the submesh index instead of the mesh index.

Definition at line 1937 of file submesh.F90.

zdsubmesh_to_mesh_dotp()

complex(real64) function submesh_oct_m::zdsubmesh_to_mesh_dotp ( type(submesh_t), intent(in)  this, real(real64), dimension(:), intent(in), contiguous  sphi, complex(real64), dimension(:), intent(in), contiguous  phi, logical, intent(in), optional  reduce  )

private

Definition at line 1981 of file submesh.F90.

zsubmesh_batch_add_matrix()

subroutine, public submesh_oct_m::zsubmesh_batch_add_matrix	(	type(submesh_t), intent(in)	this,
		complex(real64), dimension(:, :), intent(in)	factor,
		class(batch_t), intent(in)	ss,
		class(batch_t), intent(inout)	mm
	)

The following functions takes a batch of functions defined in submesh (ss) and adds all of them to each of the mesh functions in other batch (mm). Each one is multiplied by a factor given by the array 'factor'.

Definition at line 2026 of file submesh.F90.

zsubmesh_batch_add()

subroutine, public submesh_oct_m::zsubmesh_batch_add	(	type(submesh_t), intent(in)	this,
		class(batch_t), intent(in)	ss,
		class(batch_t), intent(inout)	mm
	)

The following function takes a batch of functions defined in submesh (ss) and adds one of them to each of the mesh functions in other batch (mm). Each one is multiplied by a factor given by the array factor.

Definition at line 2119 of file submesh.F90.

zsubmesh_batch_dotp_matrix()

subroutine, public submesh_oct_m::zsubmesh_batch_dotp_matrix	(	type(submesh_t), intent(in)	this,
		class(batch_t), intent(in)	mm,
		class(batch_t), intent(in)	ss,
		complex(real64), dimension(:, :), intent(inout), contiguous	dot,
		logical, intent(in), optional	reduce
	)

Definition at line 2171 of file submesh.F90.