lcc_compute_mod Module Reference

Template module for contributing. More...

Functions/Subroutines
subroutine, public	lcc_compute_roughness (coords, lattice_vectors, isoval, rab, ni, nj, nk, verbose)
	Example subroutine. More...

Detailed Description

Template module for contributing.

Function/Subroutine Documentation

lcc_compute_roughness()

subroutine, public lcc_compute_mod::lcc_compute_roughness	(	real(dp), dimension(:,:), intent(in), allocatable	coords,
		real(dp), dimension(:,:), intent(in), allocatable	lattice_vectors,
		real(dp), intent(in)	isoval,
		real(dp), intent(in)	rab,
		integer, intent(in)	ni,
		integer, intent(in)	nj,
		integer, intent(in)	nk,
		integer, intent(in)	verbose
	)

Example subroutine.

Parameters

coords	Coordinates.
lattice_vectors	Lattice vectors.
isoval	Parameter value to compute isosurface.
rab	Radius of the spherical probe.
ni	Number of discrete points on the a1 axis.
nj	Number of discrete points on the a2 axis.
nk	Number of discrete points on the a3 axis.
verbose	Verbosity level.