pymatgen.analysis.chemenv.utils.math_utils module¶

This module contains some math utils that are used in the chemenv package.

cosinus_step(xx, edges=None, inverse=False)[source]¶

divisors(n)[source]¶: From a given natural integer, returns the list of divisors in ascending order :param n: Natural integer :return: List of divisors of n in ascending order

get_center_of_arc(p1, p2, radius)[source]¶

get_linearly_independent_vectors(vectors_list)[source]¶

normal_cdf_step(xx, mean, scale)[source]¶

power2_decreasing_exp(xx, edges=None, alpha=1.0)[source]¶

power2_inverse_decreasing(xx, edges=None, prefactor=None)[source]¶

power2_inverse_power2_decreasing(xx, edges=None, prefactor=None)[source]¶

power2_inverse_powern_decreasing(xx, edges=None, prefactor=None, powern=2.0)[source]¶

power2_tangent_decreasing(xx, edges=None, prefactor=None)[source]¶

power3_step(xx, edges=None, inverse=False)[source]¶

powern_decreasing(xx, edges=None, nn=2)[source]¶

powern_parts_step(xx, edges=None, inverse=False, nn=2)[source]¶

prime_factors(n)[source]¶: Lists prime factors of a given natural integer, from greatest to smallest :param n: Natural integer :rtype : list of all prime factors of the given natural n

scale_and_clamp(xx, edge0, edge1, clamp0, clamp1)[source]¶

smootherstep(xx, edges=None, inverse=False)[source]¶

smoothstep(xx, edges=None, inverse=False)[source]¶