CP2K now officially supported by ASE

Ole Schütt o... at schuett.name
Tue Jun 16 11:28:07 UTC 2015

Hi Everybody,

I'm happy to announce that CP2K is now officially supported by the Atomic 
Simulation Environment (ASE).
ASE is a popular open framework for doing atomistic simulations with Python.
Running a CP2K calculation with ASE can be as simple as this:

  calc = CP2K()
  h20 = molecule('H2O', calculator=calc)
  print h20.get_potential_energy()

To learn more have a look at the ASE website: https://wiki.fysik.dtu.dk/ase/

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