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tools:ase [2017/03/03 16:33] oschuetttools:ase [2021/01/19 11:49] (current) oschuett
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 ====== Atomic Simulation Environment ====== ====== 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 Atomistic Simulation Environment (ASE) is a set of tools and Python modules for setting up, manipulating, running, visualizingand 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/calculator/cp2k | ase/test/calculator/cp2k]].
  
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tools/ase.1488558813.txt.gz · Last modified: 2020/08/21 10:15 (external edit)