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openmm/docs-source/api-c++/extras.rst
Peter Eastman bb3073d4f3 Virtual site for symmetric molecules (#4185)
* Reference implementation of SymmetrySite

* Common implementation of SymmetrySite

* Removed duplicated code

* Serialization for SymmetrySite

* Fixed compilation error building C wrapper

* Added SymmetrySite to user guide

* Bug fix

* Added P21 test case
2025-07-23 16:25:28 -07:00

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=============
Extra classes
=============
Tabulated functions
===================
These classes use table of values to define a mathematical function and can be
used by various :ref:`custom forces <custom-forces>`.
The :ref:`OpenMM::TabulatedFunction` class is an abstract class that the other classes
extend.
.. toctree::
:maxdepth: 2
generated/TabulatedFunction
generated/Continuous1DFunction
generated/Continuous2DFunction
generated/Continuous3DFunction
generated/Discrete1DFunction
generated/Discrete2DFunction
generated/Discrete3DFunction
Virtual Sites
=============
A virtual site is a particle whose position is computed directly from the
positions of other particles. The :ref:`OpenMM::VirtualSite` class is an abstract
class that the other classes extend.
.. toctree::
:maxdepth: 2
generated/VirtualSite
generated/LocalCoordinatesSite
generated/OutOfPlaneSite
generated/ThreeParticleAverageSite
generated/TwoParticleAverageSite
generated/SymmetrySite
Serialization
=============
These classes are used to serialize other objects, allowing them to be stored on
disk.
.. toctree::
:maxdepth: 2
generated/SerializationNode
generated/SerializationProxy
generated/XmlSerializer
Other classes
=============
These classes don't fit neatly into the other categories, but that is not to say
that they aren't important!
.. toctree::
:maxdepth: 2
generated/LocalEnergyMinimizer
generated/MinimizationReporter
generated/NoseHooverChain
generated/OpenMMException
generated/Vec3