ghutchis / avogadro-genice

Avogadro script to run GenIce2

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❄️ avogadro-genice ❄️

Avogadro2 script to generate hydrogen-disordered ice lattices ❄️

Uses GenIce2:

pip3 install genice2

GenIce is a swiss army knife to generate hydrogen-disordered ice structures, including:

  • a huge variety of lattices
  • added noise to disorder position
  • support for GROMACS atom typing
  • density changes
  • generating inclusion structures
  • clathrates
  • ions

More at https://github.com/vitroid/GenIce

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Avogadro script to run GenIce2

License:BSD 3-Clause "New" or "Revised" License


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Language:Python 100.0%