OpenMM
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Class Hierarchy
This inheritance list is sorted roughly, but not completely, alphabetically:
[detail level 12]
oCContextA Context stores the complete state of a simulation
oCContextImplThis is the internal implementation of a Context
oCexception
|\COpenMMExceptionThis class is used for all exceptions thrown by OpenMM
oCForceForce objects apply forces to the particles in a System, or alter their behavior in other ways
|oCAndersenThermostatThis class uses the Andersen method to maintain constant temperature
|oCCMAPTorsionForceThis class implements an interaction between pairs of dihedral angles
|oCCMMotionRemoverThis class prevents the center of mass of a System from drifting
|oCCustomAngleForceThis class implements interactions between sets of three particles that depend on the angle between them
|oCCustomBondForceThis class implements bonded interactions between pairs of particles
|oCCustomCompoundBondForceThis class supports a wide variety of bonded interactions
|oCCustomExternalForceThis class implements an "external" force on particles
|oCCustomGBForceThis class implements complex, multiple stage nonbonded interactions between particles
|oCCustomHbondForceThis class supports a wide variety of energy functions used to represent hydrogen bonding
|oCCustomNonbondedForceThis class implements nonbonded interactions between particles
|oCCustomTorsionForceThis class implements interactions between sets of four particles that depend on the torsion angle between them
|oCGBSAOBCForceThis class implements an implicit solvation force using the GBSA-OBC model
|oCGBVIForceThis class implements an implicit solvation force using the GB/VI model
|oCHarmonicAngleForceThis class implements an interaction between groups of three particles that varies harmonically with the angle between them
|oCHarmonicBondForceThis class implements an interaction between pairs of particles that varies harmonically with the distance between them
|oCMonteCarloBarostatThis class uses a Monte Carlo algorithm to adjust the size of the periodic box, simulating the effect of constant pressure
|oCNonbondedForceThis class implements nonbonded interactions between particles, including a Coulomb force to represent electrostatics and a Lennard-Jones force to represent van der Waals interactions
|oCPeriodicTorsionForceThis class implements an interaction between groups of four particles that varies periodically with the torsion angle between them
|\CRBTorsionForceThis class implements an interaction between groups of four particles that varies with the torsion angle between them according to the Ryckaert-Bellemans potential
oCForceImplA ForceImpl provides the internal implementation of a Force
|oCAndersenThermostatImplThis is the internal implementation of AndersenThermostat
|oCCMAPTorsionForceImplThis is the internal implementation of CMAPTorsionForce
|oCCMMotionRemoverImplThis is the internal implementation of CMMotionRemover
|oCCustomAngleForceImplThis is the internal implementation of CustomAngleForce
|oCCustomBondForceImplThis is the internal implementation of CustomBondForce
|oCCustomCompoundBondForceImplThis is the internal implementation of CustomCompoundBondForce
|oCCustomExternalForceImplThis is the internal implementation of CustomExternalForce
|oCCustomGBForceImplThis is the internal implementation of CustomGBForce
|oCCustomHbondForceImplThis is the internal implementation of CustomHbondForce
|oCCustomNonbondedForceImplThis is the internal implementation of CustomNonbondedForce
|oCCustomTorsionForceImplThis is the internal implementation of CustomTorsionForce
|oCGBSAOBCForceImplThis is the internal implementation of GBSAOBCForce
|oCGBVIForceImplThis is the internal implementation of GBVIForce
|oCHarmonicAngleForceImplThis is the internal implementation of HarmonicAngleForce
|oCHarmonicBondForceImplThis is the internal implementation of HarmonicBondForce
|oCMonteCarloBarostatImplThis is the internal implementation of MonteCarloBarostat
|oCNonbondedForceImplThis is the internal implementation of NonbondedForce
|oCPeriodicTorsionForceImplThis is the internal implementation of PeriodicTorsionForce
|\CRBTorsionForceImplThis is the internal implementation of RBTorsionForce
oCIntegratorAn Integrator defines a method for simulating a System by integrating the equations of motion
|oCBrownianIntegratorThis is an Integrator which simulates a System using Brownian dynamics
|oCCustomIntegratorThis is an Integrator that can be used to implemented arbitrary, user defined integration algorithms
|oCLangevinIntegratorThis is an Integrator which simulates a System using Langevin dynamics
|oCVariableLangevinIntegratorThis is an error contolled, variable time step Integrator that simulates a System using Langevin dynamics
|oCVariableVerletIntegratorThis is an error contolled, variable time step Integrator that simulates a System using the leap-frog Verlet algorithm
|\CVerletIntegratorThis is an Integrator which simulates a System using the leap-frog Verlet algorithm
oCKernelA Kernel encapsulates a particular implementation of a calculation that can be performed on the data in a Context
oCKernelFactoryA KernelFactory is an object that can create KernelImpls
oCKernelImplA KernelImpl defines the internal implementation of a Kernel object
oCLocalEnergyMinimizerGiven a Context, this class searches for a new set of particle positions that represent a local minimum of the potential energy
oCPlatformA Platform defines an implementation of all the kernels needed to perform some calculation
oCSplineFitterSplineFitter provides routines for performing cubic spline interpolation
oCStateA State object records a snapshot of the current state of a simulation at a point in time
oCSystemThis class represents a molecular system
oCVec3This class represents a three component vector
oCVirtualSiteA VirtualSite describes the rules for computing a particle's position based on other particles
|oCOutOfPlaneSiteThis is a VirtualSite that computes the particle location based on three other particles' locations
|oCThreeParticleAverageSiteThis is a VirtualSite that computes the particle location as a weighted average of three other particle's locations
|\CTwoParticleAverageSiteThis is a VirtualSite that computes the particle location as a weighted average of two other particle's locations
\CXmlSerializerXmlSerializer is used for serializing objects as XML, and for reconstructing them again