projector.F90 File Reference

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Modules
module	projector_oct_m

Data Types
type	projector_oct_m::projector_t
	The projector data type is intended to hold the local and non-local parts of the pseudopotentials. The definition of the action of a projector (which is done through the X(project) subroutine) depends on the type of the projector. More...

Functions/Subroutines
logical elemental function, public	projector_oct_m::projector_is_null (p)
logical elemental function, public	projector_oct_m::projector_is (p, type)
subroutine, public	projector_oct_m::projector_init (p, pseudo, namespace, dim, reltype)
subroutine, public	projector_oct_m::projector_init_phases (this, dim, std, bnd, kpoints, vec_pot, vec_pot_var)
subroutine, public	projector_oct_m::projector_build (p, ps, so_strength)
subroutine, public	projector_oct_m::projector_end (p)
subroutine, public	projector_oct_m::dproject_psi (mesh, bnd, pj, npj, dim, psi, ppsi, ik)
	dproject_psi calculates the action of a projector on the psi wavefunction. The result is summed up to ppsi More...
subroutine, public	projector_oct_m::dproject_psi_batch (mesh, bnd, pj, npj, dim, psib, ppsib)
	To optimize the application of the non-local operator in parallel, the projectors are applied in steps. More...
real(real64) function, public	projector_oct_m::dprojector_matrix_element (pj, bnd, dim, ik, psia, psib)
	dprojector_matrix_element calculates <psia|projector|psib> More...
subroutine, public	projector_oct_m::dproject_sphere (mesh, pj, dim, psi, ppsi)
subroutine, public	projector_oct_m::dprojector_commute_r (pj, mesh, bnd, dim, idir, ik, psi, cpsi)
	This function calculates |cpsi> += [x, V_nl] |psi> More...
subroutine, public	projector_oct_m::dprojector_commute_r_allatoms_alldir (pj, ions, mesh, dim, bnd, ik, psi, cpsi)
	This function calculates |cpsi> += [x, V_nl] |psi> More...
subroutine, public	projector_oct_m::zproject_psi (mesh, bnd, pj, npj, dim, psi, ppsi, ik)
	zproject_psi calculates the action of a projector on the psi wavefunction. The result is summed up to ppsi More...
subroutine, public	projector_oct_m::zproject_psi_batch (mesh, bnd, pj, npj, dim, psib, ppsib)
	To optimize the application of the non-local operator in parallel, the projectors are applied in steps. More...
complex(real64) function, public	projector_oct_m::zprojector_matrix_element (pj, bnd, dim, ik, psia, psib)
	zprojector_matrix_element calculates <psia|projector|psib> More...
subroutine, public	projector_oct_m::zproject_sphere (mesh, pj, dim, psi, ppsi)
subroutine, public	projector_oct_m::zprojector_commute_r (pj, mesh, bnd, dim, idir, ik, psi, cpsi)
	This function calculates |cpsi> += [x, V_nl] |psi> More...
subroutine, public	projector_oct_m::zprojector_commute_r_allatoms_alldir (pj, ions, mesh, dim, bnd, ik, psi, cpsi)
	This function calculates |cpsi> += [x, V_nl] |psi> More...

Variables
integer, parameter	projector_oct_m::max_nprojections = 4
integer, parameter	projector_oct_m::max_l = 5