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_box (this, space, mesh, box, center)
	This subroutine creates a submesh which has the same box of the one that the user passes. More...
subroutine, public	submesh_init (this, space, mesh, latt, center, rc)
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)
subroutine, public	submesh_get_inv (this, map_inv)
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)
subroutine, public	dsubmesh_copy_from_mesh_batch (this, psib, spsi)
real(real64) function, public	dsm_nrm2 (sm, ff, reduce)
	this function returns the the norm of a vector 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)
subroutine, public	zsubmesh_copy_from_mesh_batch (this, psib, spsi)
real(real64) function, public	zsm_nrm2 (sm, ff, reduce)
	this function returns the the norm of a vector 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 214 of file submesh.F90.

submesh_init_box()

subroutine, public submesh_oct_m::submesh_init_box	(	type(submesh_t), intent(inout)	this,
		class(space_t), intent(in)	space,
		class(mesh_t), intent(in), target	mesh,
		class(box_t), intent(in), target	box,
		real(real64), dimension(:), intent(in)	center
	)

This subroutine creates a submesh which has the same box of the one that the user passes.

Parameters

[in]

box

Simulation box of the submesh. Must be contained in the box of the mesh!

Definition at line 228 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 281 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)  xtmp, real(real64), dimension(:), intent(in)  rtmp  )

private

Definition at line 440 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 566 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 632 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 659 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 718 of file submesh.F90.

submesh_end()

subroutine, public submesh_oct_m::submesh_end

(

type(submesh_t), intent(inout)

this

)

Definition at line 736 of file submesh.F90.

submesh_get_inv()

subroutine, public submesh_oct_m::submesh_get_inv	(	type(submesh_t), intent(in)	this,
		integer, dimension(:), intent(out)	map_inv
	)

Definition at line 760 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 777 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 820 of file submesh.F90.

submesh_end_global()

subroutine, public submesh_oct_m::submesh_end_global

(

type(submesh_t), intent(inout)

this

)

Definition at line 871 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)  sphi, complex(real64), dimension(:), intent(inout)  phi, complex(real64), intent(in), optional  factor  )

private

Definition at line 886 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)  sphi, complex(real64), dimension(:), intent(in)  phi, logical, intent(in), optional  reduce  )

private

Definition at line 929 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 972 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 1003 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 1042 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 1058 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	ff,
		logical, intent(in), optional	reduce
	)

Definition at line 1162 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	ff,
		logical, intent(in), optional	reduce
	)

Definition at line 1202 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)  sphi, real(real64), dimension(:), intent(inout)  phi, real(real64), intent(in), optional  factor  )

private

Definition at line 1235 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)	phi,
		real(real64), dimension(:), intent(inout)	sphi,
		logical, intent(in), optional	conjugate
	)

Definition at line 1283 of file submesh.F90.

dsubmesh_copy_from_mesh_batch()

subroutine, public submesh_oct_m::dsubmesh_copy_from_mesh_batch	(	type(submesh_t), intent(in)	this,
		class(batch_t), intent(in)	psib,
		real(real64), dimension(:,:), intent(inout)	spsi
	)

Definition at line 1312 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)	ff,
		logical, intent(in), optional	reduce
	)

this function returns the the norm of a vector

Definition at line 1358 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)  sphi, real(real64), dimension(:), intent(in)  phi, logical, intent(in), optional  reduce  )

private

Definition at line 1395 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 1440 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 1533 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 1585 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	ff,
		logical, intent(in), optional	reduce
	)

Definition at line 1744 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	ff,
		logical, intent(in), optional	reduce
	)

Definition at line 1784 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)  sphi, complex(real64), dimension(:), intent(inout)  phi, complex(real64), intent(in), optional  factor  )

private

Definition at line 1817 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)	phi,
		complex(real64), dimension(:), intent(inout)	sphi,
		logical, intent(in), optional	conjugate
	)

Definition at line 1865 of file submesh.F90.

zsubmesh_copy_from_mesh_batch()

subroutine, public submesh_oct_m::zsubmesh_copy_from_mesh_batch	(	type(submesh_t), intent(in)	this,
		class(batch_t), intent(in)	psib,
		complex(real64), dimension(:,:), intent(inout)	spsi
	)

Definition at line 1894 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)	ff,
		logical, intent(in), optional	reduce
	)

this function returns the the norm of a vector

Definition at line 1940 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)  sphi, complex(real64), dimension(:), intent(in)  phi, logical, intent(in), optional  reduce  )

private

Definition at line 1977 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 2022 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 2115 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 2167 of file submesh.F90.