xnn.dnn.models.hdnnp.default_gaussian_widths#

xnn.dnn.models.hdnnp.default_gaussian_widths(species)[source]#

Gaussian charge widths in Angstrom: 0.45 r_cov clamped to [0.25, 0.6].

Parameters:

species (sequence of int) – Atomic numbers.

Returns:

One width per element.

Return type:

list of float