utils

jrystal.pseudopotential.utils.map_over_atoms(fun: Callable[[...], Any]) → Callable[[...], List]

A wrapper function that extends a single-atom operation to apply to all

atoms in a collection.

If f is a function that operates on an array x representing a single atom, then map_over_atoms(f) transforms f to operate on a list of arrays x_list, applying the function f to each array in the list, representing a series of atoms, and return a list of the outputs for all the atoms.

Parameters:

fun (Callable[..., Any]) – _description_

Returns:

_description_

Return type:

Callable