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BuckFit

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0.0.1 BuckFit-0.0.1-py3-none-any.whl

Wheel Details

Project: BuckFit
Version: 0.0.1
Filename: BuckFit-0.0.1-py3-none-any.whl
Download: [link]
Size: 32460
MD5: 6cd5b29851545576c3186fc79e65c7cb
SHA256: 09795177c89385218983d352c0474ec3fa7ea5b3f9574e7188bdf79173983726
Uploaded: 2020-12-07 16:54:54 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: BuckFit
Version: 0.0.1
Summary: Modular potential fitting code for classical MD buckingham potentials
Author: Lucy M. Morgan
Author-Email: l.m.morgan[at]bath.ac.uk
Home-Page: https://github.com/LMMorgan/BuckFit
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: 10092 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.36.1)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

Path Digest Size
buckfit/__init__.py sha256=sXLh7g3KC4QCFxcZGBTpG2scR7hmmBsMjq6LqRptkRg 22
buckfit/atom_types.py sha256=CrD5FtmrYRn2SdoNYUIRafZ0px6pzAU-0IcuoFxabwY 2066
buckfit/atoms.py sha256=5uI-jXdMhcQYFzKH-19lxn8Uo1yLp3pT68PJJU-shIM 2612
buckfit/bond_types.py sha256=8f_hqWJ0x3_GqDMZki_eDsUDJ_2n6ckHVUSloGqqVXw 1812
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
buckfit/lammps_data.py sha256=5Jd6cUQtigk_QFX3bf04wTjkZXHjlC-kkbNDB9viRIM 14381
buckfit/lattice_parameters.py sha256=in4h7s7Ynsb0gl--3jlcbKcWui1CVv-WRgGi7ZlTij0 9609
buckfit/plotting.py sha256=2PkodXK3jj5vUklX9CVX7fMEUgCzvZ64HFqNeAbdgDE 7346
buckfit/potential_parameters.py sha256=-cqFQcnlCX6U6jKFkCjD5AXBuaHdmu09ougAXuIcGhM 3612
buckfit/potentials.py sha256=5Y_Skw8QkUHPlP6X2EqCqwe6dx32sc5vqKoRs0fCjXU 5352
BuckFit-0.0.1.dist-info/LICENSE sha256=H-JzBY786VpdylYJLBfacx5zNyTo2AItkS0-0d22-oA 1086
BuckFit-0.0.1.dist-info/METADATA sha256=N13yZrgyjc9ojMLSnQFqHBzIiv9zeWP7tD2U-LTgqHM 10645
BuckFit-0.0.1.dist-info/WHEEL sha256=S6zePDbUAjzMmpYOg2cHDxuYFWw7WiOXt6ogM6hIB5Q 92
BuckFit-0.0.1.dist-info/top_level.txt sha256=P_KX6MbzmIfy9rnh50EcukJ2CAWki2Px98fpZNNhc18 8
BuckFit-0.0.1.dist-info/RECORD — —

top_level.txt

buckfit