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.. currentmodule:: openpathsampling.volume

Volumes

A :class:`.Volume` in OpenPathSampling is something that defines a hypervolume in phase space. This can involve coordinates as well as velocities (or any other snapshot feature, such as box vectors). Since volumes represent a set of points, they can be combined using set-theoretic intersections, unions, etc.

Stable states in path sampling are defined in terms of :class:`.Volume` objects. In addition, OPS defines interfaces in TIS as a :class:`.Volume`.

Basic Volumes

.. autosummary::
    :toctree: api/generated/

    Volume
    FullVolume
    EmptyVolume

Set-Based Volume Combinations

.. autosummary::
    :toctree: api/generated/

    IntersectionVolume
    UnionVolume
    SymmetricDifferenceVolume
    RelativeComplementVolume
    VolumeCombination

Collective Variable-Based Volumes

.. autosummary::
    :toctree: api/generated/

    CVDefinedVolume
    PeriodicCVDefinedVolume