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nomad-lab
analytics-error-estimates
Commits
b374f027
Commit
b374f027
authored
Jan 13, 2021
by
Mohammad-Yasin Arif
Browse files
Merge branch 'master' of gitlab.mpcdf.mpg.de:nomad-lab/analytics-error-estimates
parents
beee833c
80d3f463
Changes
3
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error_estimates.ipynb
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b374f027
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},
{
"cell_type": "code",
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},
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"<IPython.core.display.Image object>"
]
},
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"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
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"version": "3.8.5"
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},
"toc": {
"base_numbering": 1,
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metainfo.json
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"Elemental solids"
],
"application_section"
:
[
"Error estimates"
],
"application_system"
:
[
""
"Timely artificial-intelligence applications to Materials Science"
],
"category"
:
[
"Demo"
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setup.py
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View file @
b374f027
import
json
from
setuptools
import
setup
,
find_packages
with
open
(
'metainfo.json'
)
as
file
:
metainfo
=
json
.
load
(
file
)
setup
(
name
=
'error_estimates'
,
version
=
'1.0'
,
author
=
', '
.
join
(
metainfo
[
'authors'
]),
author_email
=
metainfo
[
'email'
],
url
=
metainfo
[
'url'
],
description
=
metainfo
[
'title'
],
long_description
=
metainfo
[
'description'
],
packages
=
find_packages
(),
install_requires
=
[
'numpy'
,
'matplotlib'
,
'nglview'
,
'ase'
,
'bokeh'
],
)
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