Collection of routines#

Collection of small routines and constants, which are used across the whole package.

It's purpose is to serve as an "other" folder.

print_2d_array(array[, fmt, highlight, ...])

Print 1D and 2D arrays in the terminal.

volume(*args)

Computes volume.

angle(v1, v2[, radians])

Angle between two vectors.

absolute_to_relative(cell, absolute)

Compute relative coordinates with respect to the unit cell.

get_permutation(n, k)

Return array of index permutations

cell_from_param([a, b, c, alpha, beta, gamma])

Return cell from lattice parameters.

reciprocal_cell(cell)

Computes reciprocal cell.

span_orthonormal_set(vec)

Span orthonormal set of vectors.