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nomad-lab
normalizer-prototypes
Commits
3dbb28f1
Commit
3dbb28f1
authored
Jul 11, 2017
by
Daria M. Tomecka
Browse files
update of classify4me_prototypes.py
parent
d7d9cac7
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1
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normalizer/normalizer-prototypes/classify4me_prototypes.py
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3dbb28f1
#! /usr/bin/env python3
# -*- coding: utf-8 -*-
"""
Reads calculation
s
and classifies their structures
on the basis of
prototypes
and
the space_group and normalized_wyckoff, and adds labels to the calculatio
j
s
-
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 calculatio
n
s
-
prototype_label
(with labels in the same format as
in the read_prototypes function).
"""
...
...
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