Coverage for local_installation/dynasor/modes/__init__.py: 100%
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« prev ^ index » next coverage.py v7.9.2, created at 2025-07-15 07:34 +0000
1"""
2The mode projection functionality in dynasor is mainly handled by two objects:
3the :class:`dynasor.ModeProjector` class and :class:`dynasor.project_modes`
4function. From the :class:`dynasor.ModeProjector` there is access to
5data-objects representing a q-point :class:`dynasor.modes.qpoint.QPoint` and
6from the q-point there is access to an object representing a particular band
7:class:`dynasor.modes.band.Band` at that q-point. In addition, simple wrappers
8around the coordinates `Q`, `P` and `F` exists via
9:class:`dynasor.modes.complex_coordinate.ComplexCoordinate` to easily set the
10amplitude and phase of a mode while preserving the :math:`Q(-q)=Q^*(q)`
11symmetries. Internally dynasor wraps the primitive cell
12:class:`dynasor.modes.atoms.Prim` and supercell
13:class:`dynasor.modes.atoms.Supercell`. As a user only the
14:class:`dynasor.ModeProjector` and :class:`dynasor.project_modes` should need
15to be imported.
16"""