orbitalset.F90 File Reference

Go to the source code of this file.

Modules
module	orbitalset_oct_m

Data Types
type	orbitalset_oct_m::orbitalset_t

Functions/Subroutines
subroutine, public	orbitalset_oct_m::orbitalset_init (this)
subroutine, public	orbitalset_oct_m::orbitalset_end (this)
subroutine, public	orbitalset_oct_m::orbitalset_set_jln (this, jj, ll, nn)
subroutine, public	orbitalset_oct_m::orbitalset_update_phase (os, dim, kpt, kpoints, spin_polarized, vec_pot, vec_pot_var, kpt_max)
	Build the phase correction to the global phase in case the orbital crosses the border of the simulaton box. More...
subroutine, public	orbitalset_oct_m::orbitalset_update_phase_shift (os, dim, kpt, kpoints, spin_polarized, vec_pot, vec_pot_var, kpt_max)
	Build the phase shift for the intersite interaction. More...
subroutine	orbitalset_oct_m::orbitalset_set_species_index (os, ions)
	Set the species index for a given orbital set. More...
subroutine, public	orbitalset_oct_m::dorbitalset_get_coefficients (os, ndim, psi, ik, has_phase, dot, reduce)
subroutine, public	orbitalset_oct_m::dorbitalset_get_coeff_batch (os, ndim, psib, dot)
subroutine, public	orbitalset_oct_m::dorbitalset_get_coeff_batch_accel (os, ndim, psib, dot)
subroutine, public	orbitalset_oct_m::dorbitalset_add_to_batch (os, ndim, psib, weight)
subroutine	daccel_add_to_batch_mesh ()
subroutine	daccel_add_to_batch_submesh ()
subroutine, public	orbitalset_oct_m::dorbitalset_get_position_matrix_elem (os, ndim, psib, idir, dot)
subroutine, public	orbitalset_oct_m::zorbitalset_get_coefficients (os, ndim, psi, ik, has_phase, dot, reduce)
subroutine, public	orbitalset_oct_m::zorbitalset_get_coeff_batch (os, ndim, psib, dot)
subroutine, public	orbitalset_oct_m::zorbitalset_get_coeff_batch_accel (os, ndim, psib, dot)
subroutine, public	orbitalset_oct_m::zorbitalset_add_to_batch (os, ndim, psib, weight)
subroutine	zaccel_add_to_batch_mesh ()
subroutine	zaccel_add_to_batch_submesh ()
subroutine, public	orbitalset_oct_m::zorbitalset_get_position_matrix_elem (os, ndim, psib, idir, dot)

Function/Subroutine Documentation

daccel_add_to_batch_mesh()

subroutine dorbitalset_add_to_batch::daccel_add_to_batch_mesh

private

Definition at line 929 of file orbitalset.F90.

daccel_add_to_batch_submesh()

subroutine dorbitalset_add_to_batch::daccel_add_to_batch_submesh

private

Definition at line 955 of file orbitalset.F90.

zaccel_add_to_batch_mesh()

subroutine zorbitalset_add_to_batch::zaccel_add_to_batch_mesh

private

Definition at line 1763 of file orbitalset.F90.

zaccel_add_to_batch_submesh()

subroutine zorbitalset_add_to_batch::zaccel_add_to_batch_submesh

private

Definition at line 1789 of file orbitalset.F90.