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Release version 0.4.1
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Luthaf committed Jul 5, 2022
1 parent 75653e0 commit 9fe15d1
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Showing 5 changed files with 11 additions and 13 deletions.
2 changes: 1 addition & 1 deletion package.json
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@@ -1,6 +1,6 @@
{
"name": "chemiscope",
"version": "0.4.0",
"version": "0.4.1",
"description": "An interactive structure/property explorer for materials and molecules",
"author": "Guillaume Fraux <[email protected]>",
"license": "BSD-3-Clause",
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3 changes: 2 additions & 1 deletion python/chemiscope/__init__.py
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Expand Up @@ -5,8 +5,9 @@
try:
# only import the chemiscope.show function if we have ipywidgets installed.
import ipywidgets # noqa

from .jupyter import show # noqa
except ImportError:
pass

__version__ = "0.4.0"
__version__ = "0.4.1"
10 changes: 3 additions & 7 deletions python/chemiscope/input.py
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"""
Generate JSON input files for the default chemiscope visualizer.
"""
import warnings
import json
import gzip
import json
import os
import warnings

import numpy as np

from .structures import (
frames_to_json,
atom_properties,
structure_properties,
)
from .structures import atom_properties, frames_to_json, structure_properties


def _expand_properties(short_properties, n_structures, n_atoms):
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5 changes: 3 additions & 2 deletions python/chemiscope/jupyter.py
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@@ -1,8 +1,9 @@
# -*- coding: utf-8 -*-
import json
import gzip
import json

import ipywidgets
from traitlets import Unicode, Bool, Dict
from traitlets import Bool, Dict, Unicode

from .input import create_input

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4 changes: 2 additions & 2 deletions python/chemiscope/structures.py
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@@ -1,9 +1,9 @@
# -*- coding: utf-8 -*-
import numpy as np
import warnings

from collections import Counter

import numpy as np

try:
import ase

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