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osmotic_mcmd

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A package to perform mcmd simulations of guest-loaded MOFs in the osmotic ensemble, based on the yaff MD engine

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Copyright (c) 2020, Ruben Goeminne

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Project based on the Computational Molecular Science Python Cookiecutter version 1.3.

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  • Python 70.4%
  • C 25.8%
  • Cython 3.5%
  • Shell 0.3%