Atomic Simulation Environment

Set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations.
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14363 OPEN SOURCE Interdisciplinary
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The Atomic Simulation Environment (ASE) is a powerful open-source Python library designed for atomistic simulations — handling tasks like setting up atomic structures, interfaces to various computational codes (“calculators”), running simulations, visualising results and analysing output.

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