epot.F90 File Reference

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Modules
module	epot_oct_m

Data Types
type	epot_oct_m::epot_t

Functions/Subroutines
subroutine, public	epot_oct_m::epot_init (ep, namespace, gr, ions, psolver, ispin, xc_family, kpoints)
subroutine, public	epot_oct_m::epot_end (ep)
subroutine, public	epot_oct_m::epot_bind_poisson_solver (ep, psolver)
	Bind the Poisson solver if the potential manages a density. The Poisson solver pointer is aliased when the local density is present and cleared otherwise. More...
subroutine, public	epot_oct_m::epot_generate (ep, namespace, mesh, ions, st_d)
logical pure function, public	epot_oct_m::local_potential_has_density (space, species)
subroutine, public	epot_oct_m::epot_local_potential (ep, namespace, space, latt, mesh, species, pos, iatom, vpsl)
subroutine, public	epot_oct_m::epot_precalc_local_potential (ep, namespace, gr, ions)
logical function, public	epot_oct_m::epot_have_external_potentials (ep)

Variables
integer, parameter, public	epot_oct_m::norel = 0
integer, parameter, public	epot_oct_m::spin_orbit = 1
integer, parameter, public	epot_oct_m::scalar_relativistic_zora = 2
integer, parameter, public	epot_oct_m::fully_relativistic_zora = 3