Functions/Subroutines
subroutine, public	orbitalbasis_init (this, namespace, periodic_dim)

subroutine, public	orbitalbasis_end (this)

subroutine	orbitalbasis_set_nlmj_radius (this, mesh, os, hubbard_l, hubbard_j, norb)
	Loop over orbitals for a given l and j. More...

subroutine, public	dorbitalbasis_build (this, namespace, ions, mesh, kpt, ndim, skip_s_orb, use_all_orb, verbose)
	This routine is an interface for constructing the orbital basis. More...

subroutine, public	dorbitalbasis_build_empty (this, mesh, kpt, ndim, norbsets, map_os, verbose)
	This routine constructd an empty orbital basis. More...

subroutine, public	zorbitalbasis_build (this, namespace, ions, mesh, kpt, ndim, skip_s_orb, use_all_orb, verbose)
	This routine is an interface for constructing the orbital basis. More...

subroutine, public	zorbitalbasis_build_empty (this, mesh, kpt, ndim, norbsets, map_os, verbose)
	This routine constructd an empty orbital basis. More...

Function/Subroutine Documentation

◆ orbitalbasis_init()

subroutine, public orbitalbasis_oct_m::orbitalbasis_init	(	type(orbitalbasis_t), intent(inout)	this,
		type(namespace_t), intent(in)	namespace,
		integer, intent(in)	periodic_dim
	)

Definition at line 176 of file orbitalbasis.F90.

subroutine, public orbitalbasis_oct_m::orbitalbasis_end ( type(orbitalbasis_t), intent(inout) this )

Definition at line 291 of file orbitalbasis.F90.

subroutine orbitalbasis_oct_m::orbitalbasis_set_nlmj_radius	(	type(orbitalbasis_t), intent(in)	this,
		type(mesh_t), intent(in)	mesh,
		type(orbitalset_t), intent(inout)	os,
		integer, intent(in)	hubbard_l,
		real(real64), intent(in)	hubbard_j,
		integer, intent(out)	norb
	)

private

Loop over orbitals for a given l and j.

This sets the values of osii, and osradius too.

Parameters

[out] norb Accumulated count of orbitals

Definition at line 313 of file orbitalbasis.F90.

subroutine, public orbitalbasis_oct_m::dorbitalbasis_build	(	type(orbitalbasis_t), intent(inout), target	this,
		type(namespace_t), intent(in)	namespace,
		type(ions_t), intent(in), target	ions,
		class(mesh_t), intent(in)	mesh,
		type(distributed_t), intent(in)	kpt,
		integer, intent(in)	ndim,
		logical, intent(in)	skip_s_orb,
		logical, intent(in)	use_all_orb,
		logical, intent(in), optional	verbose
	)

This routine is an interface for constructing the orbital basis.

Definition at line 414 of file orbitalbasis.F90.

subroutine, public orbitalbasis_oct_m::dorbitalbasis_build_empty	(	type(orbitalbasis_t), intent(inout), target	this,
		class(mesh_t), intent(in), target	mesh,
		type(distributed_t), intent(in)	kpt,
		integer, intent(in)	ndim,
		integer, intent(in)	norbsets,
		integer, dimension(:), intent(in)	map_os,
		logical, intent(in), optional	verbose
	)

This routine constructd an empty orbital basis.

Definition at line 778 of file orbitalbasis.F90.

subroutine, public orbitalbasis_oct_m::zorbitalbasis_build	(	type(orbitalbasis_t), intent(inout), target	this,
		type(namespace_t), intent(in)	namespace,
		type(ions_t), intent(in), target	ions,
		class(mesh_t), intent(in)	mesh,
		type(distributed_t), intent(in)	kpt,
		integer, intent(in)	ndim,
		logical, intent(in)	skip_s_orb,
		logical, intent(in)	use_all_orb,
		logical, intent(in), optional	verbose
	)

This routine is an interface for constructing the orbital basis.

Definition at line 927 of file orbitalbasis.F90.

subroutine, public orbitalbasis_oct_m::zorbitalbasis_build_empty	(	type(orbitalbasis_t), intent(inout), target	this,
		class(mesh_t), intent(in), target	mesh,
		type(distributed_t), intent(in)	kpt,
		integer, intent(in)	ndim,
		integer, intent(in)	norbsets,
		integer, dimension(:), intent(in)	map_os,
		logical, intent(in), optional	verbose
	)

This routine constructd an empty orbital basis.

Definition at line 1316 of file orbitalbasis.F90.