use_typewise_cutoff.rst

.. index::
   single: use_typewise_cutoff (keyword in nep.in)

:attr:`use_typewise_cutoff`

This keyword enables one to use typewise cutoff radii for the radial and angular descriptors of the :term:`NEP` model. The syntax is:

use_typewise_cutoff

without any parameter.

If this keyword is present, the radial cutoff between two elements is the minimum between the global radial cutoff r_\mathrm{c}^\mathrm{R} and 2.5 times of the sum of the covalent radii of the two elements, and the angular cutoff between two elements is the minimum between the global angular cutoff r_\mathrm{c}^\mathrm{A} and 2.0 times of the sum of the covalent radii of the two elements.

By default, this keyword is not in effect.