Wheelodex » Projects » atoMEC

atoMEC

View on PyPI — Reverse Dependencies (0)

1.4.0 atoMEC-1.4.0-py3-none-any.whl

Wheel Details

Project: atoMEC
Version: 1.4.0
Filename: atoMEC-1.4.0-py3-none-any.whl
Download: [link]
Size: 68772
MD5: 96cd0477210129943486043ce9d23907
SHA256: 528fe8e5b3efdcab305e8c8b85435dbe66e6c5e4de9a4110df81ffd44587191b
Uploaded: 2023-11-09 10:34:29 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: atoMEC
Version: 1.4.0
Summary: KS-DFT average-atom code
Author: Tim Callow et al.
Author-Email: t.callow[at]hzdr.de
Home-Page: https://github.com/atomec-project/atoMEC
License: BSD 3-Clause License Copyright (c) 2021 (in alphabetical order), Tim Callow, Attila Cangi, Eli Kraisler All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: 1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. 2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. 3. Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
Requires-Python: >=3.6
Requires-Dist: numpy (>=1.20.3)
Requires-Dist: scipy (>=1.6.3)
Requires-Dist: mendeleev (>=0.7.0)
Requires-Dist: tabulate (>=0.8.9)
Requires-Dist: joblib (>=1.0.1)
Requires-Dist: bump2version; extra == "dev"
Requires-Dist: docutils (==0.18.1); extra == "docs"
Requires-Dist: myst-parser (==2.0.0); extra == "docs"
Requires-Dist: Sphinx (==7.2.6); extra == "docs"
Requires-Dist: sphinx-rtd-theme (==1.3.0); extra == "docs"
Requires-Dist: pytest (==7.1.3); extra == "tests"
Requires-Dist: pytest-cov (==4.0.0); extra == "tests"
Requires-Dist: pytest-lazy-fixture (==0.6.3); extra == "tests"
Requires-Dist: pytest-random-order (==1.0.4); extra == "tests"
Provides-Extra: dev
Provides-Extra: docs
Provides-Extra: tests
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 7304 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.41.3)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
atoMEC/__init__.py sha256=z_KOkn0WieeTZQvpf-azgd3hhOVARsseKwExZ2BcsC4 7326
atoMEC/check_inputs.py sha256=B1mxUa86YnWAg6po72Uttx-KPXCF61SbDkcXV0pZNn0 36602
atoMEC/config.py sha256=aErWaoE1Y2cgrCXsVMARAJgiBapoPLZuiRVs5wanAI0 1143
atoMEC/convergence.py sha256=xOV7AuoCRwZGdm9ygjCxhRlU-owae4_DoXM-x0FzkBg 3655
atoMEC/mathtools.py sha256=9XtlEuJAejvjSPZZ1cTokE8lL5QYy3aO0ALz_x3Yxas 13492
atoMEC/models.py sha256=rXcXMyPSOLgBHlI8oRpaeHhB-DRS1D6rfSpp5_SXr2o 18272
atoMEC/numerov.py sha256=AAh90m3JGRxwlcSPvVGjJFwzQEWgzC1HvExm5S9YhGM 27037
atoMEC/staticKS.py sha256=A-kU0Z-hxHcl6PAMjZX7GrQmZPHpsJS1tL_J4uebHT0 56443
atoMEC/unitconv.py sha256=TehVAOQqslihhaws47sg0BAZxhYdR4EsZXKChg3yNLs 182
atoMEC/writeoutput.py sha256=VAAZNzLwcoWDsTz9Ejk0455l89Pjb0Ysj2Ya1CwnhbI 20540
atoMEC/xc.py sha256=aqzCy47RtWFYDV3ssFubgkrjiC8tP0QUQEPYs4I6YGU 13430
atoMEC/postprocess/__init__.py sha256=HcAJp5jTjEj0-DcXNstwpOWRttgZngcJZobKbHm4H8g 69
atoMEC/postprocess/conductivity.py sha256=yMjxG87GfjXof-Nwi1ZBykOwJsGj1Hvr6a4F-tghUjU 35799
atoMEC/postprocess/localization.py sha256=fPG_hy5mhV1CWj3UxSUnI226_oCtkz7J_psQqKW6dt4 13382
atoMEC/postprocess/pressure.py sha256=qD0uA8LKr4NvMHdXCxJrS89uEjAaHOncmMARrNdbPJE 13366
atoMEC-1.4.0.dist-info/LICENSE sha256=KaZMxIqe5wq6pQDeF_1645OZz0xXyGnZE29ARg3LKAo 1570
atoMEC-1.4.0.dist-info/METADATA sha256=2N_w8DVEKNWvDG5Du_W5Q1WLTt6W6lPyDOD1HEyCRGs 10119
atoMEC-1.4.0.dist-info/WHEEL sha256=Xo9-1PvkuimrydujYJAjF7pCkriuXBpUPEjma1nZyJ0 92
atoMEC-1.4.0.dist-info/top_level.txt sha256=z1Avt870-752s72Vs-4EDDwZ5UBZ1ajENVBrr1eL2ms 7
atoMEC-1.4.0.dist-info/RECORD — —

top_level.txt

atoMEC