/usr/share/python-ase/doc/ase/ase.rst is in python-ase-doc 3.9.1.4567-3.
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:synopsis: ASE module
.. _ase:
================================
Documentation for modules in ASE
================================
Quick links:
.. list-table::
* - :mod:`~ase.atom`
- :mod:`~ase.atoms`
- :mod:`~ase.calculators`
- :mod:`~ase.constraints`
* - :mod:`~ase.db`
- :mod:`~ase.dft`
- :mod:`~ase.data`
- :mod:`~ase.ga`
* - :mod:`~ase.gui`
- :mod:`~ase.infrared`
- :mod:`~ase.io`
- :mod:`~ase.lattice`
* - :mod:`~ase.md`
- :mod:`~ase.neb`
- :mod:`~ase.optimize`
- :mod:`~ase.parallel`
* - :mod:`~ase.phasediagram`
- :mod:`~ase.phonons`
- :mod:`~ase.lattice.spacegroup`
- :mod:`~ase.structure`
* - :mod:`~ase.lattice.surface`
- :mod:`~ase.transport`
- :mod:`~ase.thermochemistry`
- :mod:`~ase.units`
* - :mod:`~ase.utils`
- :mod:`~ase.vibrations`
- :mod:`~ase.visualize`
-
.. seealso::
* :ref:`tutorials`
* :ref:`cli`
* :epydoc:`Automatically generated documentation <ase>` (:term:`API`)
* :trac:`Source code <>`
* Presentation about ASE: :download:`ase-talk.pdf`
List of all modules:
.. toctree::
:maxdepth: 2
atoms
atom
units
io
gui/gui
cmdline
setup-overview
optimize
parallel
visualize/visualize
visualize/vtk
calculators/calculators
constraints
neb
vibrations
phonons
phasediagram/phasediagram
thermochemistry/thermochemistry
infrared
md
dft/dft
transport/transport
data
trajectory
utils
neighbors
io/opls
db/db
ga
dimermethod
|