tblite_cutoff::get_lattice_points Interface Reference

Public Member Functions
subroutine	get_lattice_points_cutoff (periodic, lat, rthr, trans)
	Create lattice points within a given cutoff.
subroutine	get_lattice_points_rep_3d (lat, rep, origin, trans)
	Generate lattice points from repeatitions.

Member Function/Subroutine Documentation

get_lattice_points_cutoff()

subroutine tblite_cutoff::get_lattice_points::get_lattice_points_cutoff	(	logical, dimension(:), intent(in)	periodic,
		real(wp), dimension(:, :), intent(in)	lat,
		real(wp), intent(in)	rthr,
		real(wp), dimension(:, :), intent(out), allocatable	trans )

Create lattice points within a given cutoff.

Parameters

[in]	periodic	Periodic dimensions
[in]	rthr	Real space cutoff
[in]	lat	Lattice parameters
[out]	trans	Generated lattice points

get_lattice_points_rep_3d()

subroutine tblite_cutoff::get_lattice_points::get_lattice_points_rep_3d	(	real(wp), dimension(:, :), intent(in)	lat,
		integer, dimension(:), intent(in)	rep,
		logical, intent(in)	origin,
		real(wp), dimension(:, :), intent(out), allocatable	trans )

Generate lattice points from repeatitions.

Parameters

[in]	lat	Lattice vectors
[in]	rep	Repeatitions of lattice points to generate
[in]	origin	Include the origin in the generated lattice points
[out]	trans	Generated lattice points

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The documentation for this interface was generated from the following file:

• /home/runner/work/tblite/tblite/src/tblite/cutoff.f90