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
oCStateBuilder
|\CStateA 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