Updated the get_lig_charge() recipe - Githubissues

nlesc-nano / nano-CAT

A collection of tools for the analysis of nanocrystals.

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Updated the get_lig_charge() recipe #46

Closed BvB93 closed 4 years ago

BvB93 commented 4 years ago

Changed and rearranged a number of parameter names.
More then one atom can now be specified.
Switched from 1 to 0-based atomic indices.