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tools:ase [2017/03/03 16:33] oschuetttools:ase [2019/03/06 07:32] tmueller
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 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 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 [[https://trac.fysik.dtu.dk/projects/ase/browser/trunk/ase/calculators/cp2k.py | ase/calculators/cp2k.py]]. It's documentation can be found [[https://wiki.fysik.dtu.dk/ase/ase/calculators/cp2k.html | here ]].+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 [[https://gitlab.com/ase/ase/blob/master/ase/calculators/cp2k.py | ase/calculators/cp2k.py]]. It's documentation can be found [[https://wiki.fysik.dtu.dk/ase/ase/calculators/cp2k.html | here ]].
  
 For more information about ASE in general visit their [[https://wiki.fysik.dtu.dk/ase/ | project page]] For more information about ASE in general visit their [[https://wiki.fysik.dtu.dk/ase/ | project page]]
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 </code> </code>
  
-For more examples have a look at the test suite in [[ https://trac.fysik.dtu.dk/projects/ase/browser/trunk/ase/test/cp2k | ase/test/cp2k]].+For more examples have a look at the test suite in [[ https://gitlab.com/ase/ase/tree/master/ase/test/cp2k | ase/test/cp2k]].
  
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tools/ase.txt · Last modified: 2021/01/19 11:49 by oschuett