.. _ase: ======= Modules ======= .. hlist:: :columns: 4 * :mod:`ase (Atom) ` * :mod:`ase (Atoms) ` * :mod:`~ase.build` * :mod:`~ase.cell` * :mod:`~ase.calculators` * :mod:`~ase.collections` * :mod:`~ase.constraints` * :mod:`~ase.db` * :mod:`~ase.dft` * :mod:`~ase.data` * :mod:`~ase.filters` * :mod:`~ase.formula` * :mod:`~ase.ga` * :mod:`~ase.geometry` * :mod:`~ase.gui` * :mod:`~ase.io` * :mod:`~ase.lattice` * :mod:`~ase.md` * :mod:`~ase.mep` * :mod:`~ase.neighborlist` * :mod:`~ase.optimize` * :mod:`~ase.parallel` * :mod:`~ase.phasediagram` * :mod:`~ase.phonons` * :mod:`~ase.spacegroup` * :mod:`~ase.spectrum` * :mod:`~ase.symbols` * :mod:`~ase.transport` * :mod:`~ase.thermochemistry` * :mod:`~ase.units` * :mod:`~ase.utils` * :mod:`~ase.vibrations` * :mod:`~ase.visualize` .. seealso:: * :ref:`tutorials` * :ref:`cli` * :git:`Source code <>` * Presentation about ASE: `ase-talk.pdf `__ .. toctree:: :maxdepth: 2 atoms cell units io/io build/build eos formula symbols collections data optimize md constraints filters spacegroup/spacegroup neighborlist geometry db/db mep ga/ga gui/gui lattice cluster/cluster visualize/visualize calculators/calculators dft/dft vibrations/vibrations phonons phasediagram/phasediagram spectrum/spectrum thermochemistry/thermochemistry utils parallel atom transport/transport