orbitalset_utils.F90 File Reference

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Modules
module	orbitalset_utils_oct_m

Functions/Subroutines
integer function, public	orbitalset_utils_oct_m::orbitalset_utils_count (species, iselect)
subroutine, public	orbitalset_utils_oct_m::orbitalset_init_intersite (this, namespace, space, ind, ions, der, psolver, os, nos, maxnorbs, rcut, kpt, has_phase, sm_poisson, basis_from_states, combine_j_orbitals)
subroutine, public	orbitalset_utils_oct_m::dorbitalset_utils_getorbitals (namespace, os, ions, mesh, use_mesh, normalize, index_shift)
subroutine, public	orbitalset_utils_oct_m::dorbitalset_get_center_of_mass (os, space, mesh, latt)
subroutine	orbitalset_utils_oct_m::dget_orbital (species, sm, i, l, j_in, iorb, ndim, orb, combine_j_orbitals)
	Returns an orbital on the intersite submesh. More...
subroutine, public	orbitalset_utils_oct_m::zorbitalset_utils_getorbitals (namespace, os, ions, mesh, use_mesh, normalize, index_shift)
subroutine, public	orbitalset_utils_oct_m::zorbitalset_get_center_of_mass (os, space, mesh, latt)
subroutine	orbitalset_utils_oct_m::zget_orbital (species, sm, i, l, j_in, iorb, ndim, orb, combine_j_orbitals)
	Returns an orbital on the intersite submesh. More...

Variables
integer, parameter, public	orbitalset_utils_oct_m::sm_poisson_direct = 0
integer, parameter, public	orbitalset_utils_oct_m::sm_poisson_isf = 1
integer, parameter, public	orbitalset_utils_oct_m::sm_poisson_psolver = 2
integer, parameter, public	orbitalset_utils_oct_m::sm_poisson_fft = 3