Commit 6b1a0839 authored by Paul Erhart's avatar Paul Erhart

DOC: fixed references to pure_python version in documentation

parent 4c2f9d55
Pipeline #25315057 failed with stages
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......@@ -39,7 +39,6 @@ Quick links:
:func:`~ase.build.minimize_rotation_and_translation`,
:func:`~ase.build.get_deviation_from_optimal_cell_shape`,
:func:`~ase.build.find_optimal_cell_shape`,
:func:`~ase.build.find_optimal_cell_shape_pure_python`,
:func:`~ase.build.make_supercell`
......
......@@ -10,6 +10,5 @@ Tools for building things
.. autofunction:: ase.build.minimize_tilt
.. autofunction:: ase.build.minimize_rotation_and_translation
.. autofunction:: ase.build.find_optimal_cell_shape
.. autofunction:: ase.build.find_optimal_cell_shape_pure_python
.. autofunction:: ase.build.get_deviation_from_optimal_cell_shape
.. autofunction:: ase.build.make_supercell
......@@ -335,7 +335,6 @@ Version 3.12.0
* New :ref:`defects` tutorial and new super-cell functions:
:func:`~ase.build.get_deviation_from_optimal_cell_shape`,
:func:`~ase.build.find_optimal_cell_shape`,
:func:`~ase.build.find_optimal_cell_shape_pure_python`,
:func:`~ase.build.make_supercell`.
* New :class:`~ase.dft.band_structure.BandStructure` object. Can identify
......
......@@ -145,19 +145,6 @@ number of primitive unit cells.
Implementation of algorithm
---------------------------
The algorithm described above has been implemented in two versions:
* :func:`~ase.build.find_optimal_cell_shape`: An
implementation that invokes inline-C code via the `scipy.weave
<http://docs.scipy.org/doc/scipy/reference/tutorial/weave.html>`_
interface as is substantially (about one to two orders of magnitude)
faster than the pure python version. `scipy
<https://www.scipy.org/>`_ is available on many systems for
scientific computing and should be preferable if available.
* :func:`~ase.build.find_optimal_cell_shape_pure_python`:
A pure python implementation that is, however, quite slow.
For illustration consider the following example. First we set up a
primitive face-centered cubic (fcc) unit cell, after which we call
:func:`~ase.build.find_optimal_cell_shape` to obtain a
......
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