lcc_check_mod Module Reference

Module for checking operations routines. More...

Functions/Subroutines
subroutine, public	lcc_check_periodicity (r_in, lattice_vectors, r_ref, tol, verbose)
	Check the periodicity. More...

Detailed Description

Module for checking operations routines.

Function/Subroutine Documentation

lcc_check_periodicity()

subroutine, public lcc_check_mod::lcc_check_periodicity	(	real(dp), dimension(:,:), intent(in), allocatable	r_in,
		real(dp), dimension(:,:), intent(in), allocatable	lattice_vectors,
		real(dp), dimension(:,:), intent(in), allocatable	r_ref,
		real(dp), intent(in)	tol,
		integer, intent(in)	verbose
	)

Check the periodicity.

Will use a "brute force" approach to check periodidity.

Parameters

r_in	Input coordinates.
lattice_vectors	Translation vectors for the slab.
r_ref	Reference or "bulk structure from where the shape was cut.
verbose	Verbosity level.