mirror of
https://github.com/openmm/openmm
synced 2026-06-03 06:39:48 +09:00
* 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
70 lines
1.6 KiB
ReStructuredText
70 lines
1.6 KiB
ReStructuredText
=============
|
|
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
|