get_lattice_points Interface

public interface get_lattice_points

Module Procedures

private subroutine get_lattice_points_cutoff(periodic, lat, rthr, trans)

Create lattice points within a given cutoff

Arguments

Type IntentOptional Attributes Name
logical, intent(in) :: periodic(:)

Periodic dimensions

real(kind=wp), intent(in) :: lat(:,:)

Lattice parameters

real(kind=wp), intent(in) :: rthr

Real space cutoff

real(kind=wp), intent(out), allocatable :: trans(:,:)

Generated lattice points

private subroutine get_lattice_points_rep_3d(lat, rep, origin, trans)

Generate lattice points from repeatitions

Arguments

Type IntentOptional Attributes Name
real(kind=wp), intent(in) :: lat(:,:)

Lattice vectors

integer, intent(in) :: rep(:)

Repeatitions of lattice points to generate

logical, intent(in) :: origin

Include the origin in the generated lattice points

real(kind=wp), intent(out), allocatable :: trans(:,:)

Generated lattice points