tools:ase
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tools:ase [2017/03/03 16:33] – oschuett | tools: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, | + | The Atomistic Simulation Environment (ASE) is a set of tools and Python modules for setting up, manipulating, |
- | 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/ | + | 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/ |
For more information about ASE in general visit their [[https:// | For more information about ASE in general visit their [[https:// | ||
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</ | </ | ||
- | For more examples have a look at the test suite in [[ https://trac.fysik.dtu.dk/projects/ase/browser/trunk/ | + | 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]]. |
<note warning> | <note warning> |
tools/ase.1488558813.txt.gz · Last modified: 2020/08/21 10:15 (external edit)