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mdgo

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0.2.4 mdgo-0.2.4-py3-none-any.whl

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Project: mdgo
Version: 0.2.4
Filename: mdgo-0.2.4-py3-none-any.whl
Download: [link]
Size: 63720
MD5: b34f01124b675419a195e1c817d69f33
SHA256: adf881b432df6e3a5ca01dc7db6ca5658f13dbbb2c084cc3b8abb260d6448534
Uploaded: 2021-12-16 07:55:23 +0000

dist-info

METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: mdgo
Version: 0.2.4
Summary: A codebase for MD simulation setup and results analysis.
Author: mdgo development team
Author-Email: tingzheng_hou[at]berkeley.edu
Maintainer: Tingzheng Hou
Maintainer-Email: tingzheng_hou[at]berkeley.edu
Home-Page: https://github.com/HT-MD/mdgo
License: MIT
Keywords: LAMMPS,Gromacs,Molecular dynamics,liquid,charge,materials,science,solvation,diffusion,transport,conductivity,force field
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering :: Information Analysis
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.7
Requires-Dist: numpy (>=1.16.0)
Requires-Dist: pandas
Requires-Dist: matplotlib
Requires-Dist: scipy
Requires-Dist: tqdm
Requires-Dist: pymatgen (>=2022.0.17)
Requires-Dist: statsmodels
Requires-Dist: pubchempy
Requires-Dist: MDAnalysis
Requires-Dist: selenium
Requires-Dist: typing-extensions
Requires-Dist: sphinx; extra == "web"
Requires-Dist: sphinx-rtd-theme; extra == "web"
Requires-Dist: sphinx-autodoc-typehints; extra == "web"
Provides-Extra: web
Description-Content-Type: text/markdown
[Description omitted; length: 4310 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.37.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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mdgo/conductivity.py sha256=rzkaWjqyXlemTmA2Z9hdD9-MacqJICXfrhx61UXDcyo 7436
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mdgo/core.py sha256=PJ4EcgrAcsbdvAWISLAdkHrWh0oKg_BhsqUg06z3wb8 46094
mdgo/forcefield.py sha256=c9A6Q_1mGl_QZUXTSSomd1uMEOx5q58AzZWsCBn_d0s 38336
mdgo/mdgopackmol.py sha256=V_F7Srtowel_c7IyiRIq_wekC7g5xPy_7wRK_AkqHtk 9171
mdgo/msd.py sha256=mSh1qSienANi2YJ20I9lBRSSNFUBXoj2b_an-t8GCW4 8915
mdgo/residence_time.py sha256=I5h4Zp82UI25ihWAOBvY75HHQ1LRcHLzuxbuNqYJEXI 6727
mdgo/util.py sha256=9idgSKmzW37wXd0NC40JVHZYJH6yXM_wDr7-INOJOlQ 35689
mdgo/volume.py sha256=TKQDg8QKsj58VZ8ZwtFir7Qv0aERpaKdpqIjgtTzzxY 17983
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mdgo-0.2.4.dist-info/RECORD — —

top_level.txt

mdgo
tests