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Atomic Simulation Environment

The Atomistic Simulation Environment (ASE) is a set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations. The code is freely available under the GNU LGPL license.

The ASE comes with a plugin, a so-called calculator, for running simulations with CP2K. The source code of the calculator is in the file ase/calculators/cp2k.py. Furthermore, there is a small test suite in ase/test/cp2k

For more information visit the ASE project page

tools/ase.1432296154.txt.gz · Last modified: 2020/08/21 10:15 (external edit)