Commit 3dbb28f1 authored by Daria M. Tomecka's avatar Daria M. Tomecka
Browse files

update of classify4me_prototypes.py

parent d7d9cac7
#! /usr/bin/env python3
# -*- coding: utf-8 -*-
"""
Reads calculations and classifies their structures on the basis of prototypes
and the space_group and normalized_wyckoff, and adds labels to the calculatiojs
- classification_name (with labels in the same format as
Reads calculation data and classifies their structures by prototypes
on the basis of the space_group and normalized_wyckoff, and adds labels to the calculations
- prototype_label (with labels in the same format as
in the read_prototypes function).
"""
......
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