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PopOff

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0.0.1 PopOff-0.0.1-py3-none-any.whl

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Project: PopOff
Version: 0.0.1
Filename: PopOff-0.0.1-py3-none-any.whl
Download: [link]
Size: 58998
MD5: 17bbee67873bca10a62fe3376d176639
SHA256: c657e771ae4f85bd01cfd4ea098207abb793d1186f40812b74e48ad210169250
Uploaded: 2021-05-19 15:52:15 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: PopOff
Version: 0.0.1
Summary: POPOFF: POtential Parameter Optimisation for Force-Fields
Author: Lucy M. Morgan
Author-Email: l.m.morgan[at]bath.ac.uk
Home-Page: https://github.com/LMMorgan/PopOff
License: MIT
Requires-Dist: pymatgen (>=v2017.10.16)
Requires-Dist: numpy
Requires-Dist: Cython (>=0.29.9)
Requires-Dist: lammps-cython (==0.5.8)
Requires-Dist: matplotlib (>=3.1.0)
Requires-Dist: scipy
Requires-Dist: seaborn (>=0.9.0)
Requires-Dist: pytest
Description-Content-Type: text/markdown
[Description omitted; length: 10404 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.36.2)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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buckfit/bonds.py sha256=td0Doy3nVYvUGwC7siduLFk4h_4QdLkD6H-YNT0qRGY 1793
buckfit/collate_structures.py sha256=kvl5h_VK8z42TqVr6dWYb-U6MYauR5xHvawOal-c2mM 3371
buckfit/cross_validation.py sha256=7rrE7b0-anq0AQ6-8uwGeJ7WnPRNDlEjQWButtxl-Mk 9102
buckfit/fitting_code.py sha256=BKiK496BTOdkTS14Xup_MwXedXXA6ytDnY2g2ERY0Vw 15122
buckfit/fitting_output.py sha256=upO0TctRFWs3WJaZVYVwyEkQwh_9D9d6JMdB2fPQCFQ 3768
buckfit/from_structure.py sha256=pxGV82s9KDmS3ixEnOSxwdnim_b9gWSB-NXZ1EnQDSM 6853
buckfit/input_checker.py sha256=IqDcisN7bSZ3UKi1EQDpusUhAwFutlDr14u8e5RqUVI 7337
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popoff/collate_structures.py sha256=WwhttY3t8dYGceaRcvIgQiH_SfD-CEbJiGjuH_I6b08 3385
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popoff/fitting_code.py sha256=jhSSuYGpbXj5Oqc4EjrFrKmTUNS78ILP76gMtpM5Tig 15088
popoff/fitting_output.py sha256=yxxAkG8vaymCSlJgbvUFC-p_1_UkhgAc-8rqG6B8cS4 3693
popoff/from_structure.py sha256=M47q0oQDmbUJbCxKFejwtuImL8FJ2d4nzpXVzJw-8JY 6888
popoff/input_checker.py sha256=-QkDUBLmN3mKpWhBPGZL39OShy1YSBy0bLgmzQuqcdY 7351
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PopOff-0.0.1.dist-info/RECORD — —

top_level.txt

popoff