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tools:ase [2017/03/03 16:33]
oschuett
tools:ase [2019/03/06 07:32] (current)
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 ยท Last modified: 2019/03/06 07:32 by tmueller