:py:mod:`aiida_vasp.utils.constraints`
======================================

.. py:module:: aiida_vasp.utils.constraints

.. autodoc2-docstring:: aiida_vasp.utils.constraints
   :allowtitles:

Module Contents
---------------

Functions
~~~~~~~~~

.. list-table::
   :class: autosummary longtable
   :align: left

   * - :py:obj:`_is_cell_axis_aligned <aiida_vasp.utils.constraints._is_cell_axis_aligned>`
     - .. autodoc2-docstring:: aiida_vasp.utils.constraints._is_cell_axis_aligned
          :summary:
   * - :py:obj:`atoms_to_positions_dof <aiida_vasp.utils.constraints.atoms_to_positions_dof>`
     - .. autodoc2-docstring:: aiida_vasp.utils.constraints.atoms_to_positions_dof
          :summary:
   * - :py:obj:`serialize_dynamics <aiida_vasp.utils.constraints.serialize_dynamics>`
     - .. autodoc2-docstring:: aiida_vasp.utils.constraints.serialize_dynamics
          :summary:

API
~~~

.. py:function:: _is_cell_axis_aligned(cell: numpy.ndarray, tol: float = 1e-06) -> bool
   :canonical: aiida_vasp.utils.constraints._is_cell_axis_aligned

   .. autodoc2-docstring:: aiida_vasp.utils.constraints._is_cell_axis_aligned

.. py:function:: atoms_to_positions_dof(atoms: ase.Atoms) -> numpy.ndarray | None
   :canonical: aiida_vasp.utils.constraints.atoms_to_positions_dof

   .. autodoc2-docstring:: aiida_vasp.utils.constraints.atoms_to_positions_dof

.. py:function:: serialize_dynamics(atoms: typing.Union[ase.Atoms, dict]) -> aiida.orm.Dict | None
   :canonical: aiida_vasp.utils.constraints.serialize_dynamics

   .. autodoc2-docstring:: aiida_vasp.utils.constraints.serialize_dynamics