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OpenMM Namespace Reference

## Classes

class | AmoebaAngleForce
| This class implements an interaction between triplets of particles that varies with the angle between them. More...
class | AmoebaBondForce
| This class implements an interaction between pairs of particles that varies with the distance between them. More...
class | AmoebaGeneralizedKirkwoodForce
| This class implements an implicit solvation force using the generalized Kirkwood/Grycuk model. More...
class | AmoebaInPlaneAngleForce
| This class implements an interaction at trigonal centers corresponding to the projected in-plane angle bend energy between four particles. More...
class | AmoebaMultipoleForce
| This class implements the Amoeba multipole interaction. More...
class | AmoebaOutOfPlaneBendForce
| This class implements the Amoeba out-of-plane bend interaction. More...
class | AmoebaPiTorsionForce
| This class implements the Amoeba pi-torsion interaction. More...
class | AmoebaStretchBendForce
| This class implements the Amoeba stretch-bend interaction. More...
class | AmoebaTorsionTorsionForce
| This class implements the Amoeba torsion-torsion interaction. More...
class | AmoebaVdwForce
| This class implements a buffered 14-7 potential used to model van der Waals forces. More...
class | AmoebaWcaDispersionForce
| This class implements a nonbonded interaction between pairs of particles typically used along with AmoebaGeneralizedKirkwoodForce as part of an implicit solvent model. More...
class | AndersenThermostat
| This class uses the Andersen method to maintain constant temperature. More...
class | BrownianIntegrator
| This is an Integrator which simulates a System using Brownian dynamics. More...
class | CMAPTorsionForce
| This class implements an interaction between pairs of dihedral angles. More...
class | CMMotionRemover
| This class prevents the center of mass of a System from drifting. More...
class | Context
| A Context stores the complete state of a simulation. More...
class | Continuous1DFunction
| This is a TabulatedFunction that computes a continuous one dimensional function. More...
class | Continuous2DFunction
| This is a TabulatedFunction that computes a continuous two dimensional function. More...
class | Continuous3DFunction
| This is a TabulatedFunction that computes a continuous three dimensional function. More...
class | CustomAngleForce
| This class implements interactions between sets of three particles that depend on the angle between them. More...
class | CustomBondForce
| This class implements bonded interactions between pairs of particles. More...
class | CustomCompoundBondForce
| This class supports a wide variety of bonded interactions. More...
class | CustomExternalForce
| This class implements an "external" force on particles. More...
class | CustomGBForce
| This class implements complex, multiple stage nonbonded interactions between particles. More...
class | CustomHbondForce
| This class supports a wide variety of energy functions used to represent hydrogen bonding. More...
class | CustomIntegrator
| This is an Integrator that can be used to implemented arbitrary, user defined integration algorithms. More...
class | CustomManyParticleForce
| This class supports a wide variety of nonbonded N-particle interactions, where N is user specified. More...
class | CustomNonbondedForce
| This class implements nonbonded interactions between particles. More...
class | CustomTorsionForce
| This class implements interactions between sets of four particles that depend on the torsion angle between them. More...
class | Discrete1DFunction
| This is a TabulatedFunction that computes a discrete one dimensional function f(x). More...
class | Discrete2DFunction
| This is a TabulatedFunction that computes a discrete two dimensional function f(x,y). More...
class | Discrete3DFunction
| This is a TabulatedFunction that computes a discrete three dimensional function f(x,y,z). More...
class | DrudeForce
| This class implements forces that are specific to Drude oscillators. More...
class | DrudeLangevinIntegrator
| This Integrator simulates systems that include Drude particles. More...
class | DrudeSCFIntegrator
| This is a leap-frog Verlet Integrator that simulates systems with Drude particles. More...
class | Force
| Force objects apply forces to the particles in a System, or alter their behavior in other ways. More...
class | GBSAOBCForce
| This class implements an implicit solvation force using the GBSA-OBC model. More...
class | GBVIForce
| This class implements an implicit solvation force using the GB/VI model. More...
class | HarmonicAngleForce
| This class implements an interaction between groups of three particles that varies harmonically with the angle between them. More...
class | HarmonicBondForce
| This class implements an interaction between pairs of particles that varies harmonically with the distance between them. More...
class | Integrator
| An Integrator defines a method for simulating a System by integrating the equations of motion. More...
class | Kernel
| A Kernel encapsulates a particular implementation of a calculation that can be performed on the data in a Context. More...
class | KernelFactory
| A KernelFactory is an object that can create KernelImpls. More...
class | KernelImpl
| A KernelImpl defines the internal implementation of a Kernel object. More...
class | LangevinIntegrator
| This is an Integrator which simulates a System using Langevin dynamics. More...
class | LocalCoordinatesSite
| This is a VirtualSite that uses the locations of three other particles to compute a local coordinate system, then places the virtual site at a fixed location in that coordinate system. More...
class | LocalEnergyMinimizer
| Given a Context, this class searches for a new set of particle positions that represent a local minimum of the potential energy. More...
class | MonteCarloAnisotropicBarostat
| This class uses a Monte Carlo algorithm to adjust the size of the periodic box, simulating the effect of constant pressure. More...
class | MonteCarloBarostat
| This class uses a Monte Carlo algorithm to adjust the size of the periodic box, simulating the effect of constant pressure. More...
class | MonteCarloMembraneBarostat
| This is a Monte Carlo barostat designed specifically for membrane simulations. More...
class | NonbondedForce
| This class implements nonbonded interactions between particles, including a Coulomb force to represent electrostatics and a Lennard-Jones force to represent van der Waals interactions. More...
class | OpenMMException
| This class is used for all exceptions thrown by OpenMM. More...
class | OutOfPlaneSite
| This is a VirtualSite that computes the particle location based on three other particles' locations. More...
class | PeriodicTorsionForce
| This class implements an interaction between groups of four particles that varies periodically with the torsion angle between them. More...
class | Platform
| A Platform defines an implementation of all the kernels needed to perform some calculation. More...
class | RBTorsionForce
| This class implements an interaction between groups of four particles that varies with the torsion angle between them according to the Ryckaert-Bellemans potential. More...
class | RPMDIntegrator
| This is an Integrator which simulates a System using ring polymer molecular dynamics (RPMD). More...
class | RPMDMonteCarloBarostat
| This class is very similar to MonteCarloBarostat, but it is specifically designed for use with RPMDIntegrator. More...
class | RPMDUpdater
| This ForceImpl subclass is for forces specifically designed to work with RPMDIntegrator. More...
class | State
| A State object records a snapshot of the current state of a simulation at a point in time. More...
class | System
| This class represents a molecular system. More...
class | TabulatedFunction
| A TabulatedFunction uses a set of tabulated values to define a mathematical function. More...
class | ThreeParticleAverageSite
| This is a VirtualSite that computes the particle location as a weighted average of three other particle's locations. More...
class | TwoParticleAverageSite
| This is a VirtualSite that computes the particle location as a weighted average of two other particle's locations. More...
class | VariableLangevinIntegrator
| This is an error contolled, variable time step Integrator that simulates a System using Langevin dynamics. More...
class | VariableVerletIntegrator
| This is an error contolled, variable time step Integrator that simulates a System using the leap-frog Verlet algorithm. More...
class | Vec3
| This class represents a three component vector. More...
class | VerletIntegrator
| This is an Integrator which simulates a System using the leap-frog Verlet algorithm. More...
class | VirtualSite
| A VirtualSite describes the rules for computing a particle's position based on other particles. More...
class | XmlSerializer
| XmlSerializer is used for serializing objects as XML, and for reconstructing them again. More...

## Typedefs

typedef std::vector < std::vector< std::vector < double > > > | TorsionTorsionGrid
typedef std::vector < std::vector< std::vector < float > > > | TorsionTorsionGridFloat

## Functions

template<class CHAR , class TRAITS >
std::basic_ostream< CHAR, TRAITS > & | operator<< (std::basic_ostream< CHAR, TRAITS > &o, const Vec3 &v)

## Variables

class OPENMM_EXPORT | Force
class OPENMM_EXPORT | VirtualSite

## Typedef Documentation

typedef std::vector< std::vector< std::vector<double> > > TorsionTorsionGrid

typedef std::vector< std::vector< std::vector<float> > > TorsionTorsionGridFloat

## Function Documentation

std::basic_ostream<CHAR,TRAITS>& OpenMM::operator<< | ( | std::basic_ostream< CHAR, TRAITS > & | o,
|  | const Vec3 & | v
| ) |  |

## Variable Documentation

class OPENMM_EXPORT Force

class OPENMM_EXPORT VirtualSite