`ccs_fit.common.math.ewald`

Common Ewald summation tools used by the CCS project.

Module Contents

Functions

ewald_summation(atoms)

Calculates the Ewald summation of multiple structures.

ccs_fit.common.math.ewald.ewald_summation(atoms)

Calculates the Ewald summation of multiple structures.

Parameters:: atoms (list) – list of ASE Atoms objects