►NOpenMM | This file provides a variety of macros useful in test cases |
CAmoebaAngleForce | This class implements an interaction between triplets of particles that varies with the angle between them |
CAmoebaAngleForceImpl | This is the internal implementation of AmoebaAngleForce |
CAmoebaBondForce | This class implements an interaction between pairs of particles that varies with the distance between them |
CAmoebaBondForceImpl | This is the internal implementation of AmoebaBondForce |
CAmoebaGeneralizedKirkwoodForce | This class implements an implicit solvation force using the generalized Kirkwood/Grycuk model |
CAmoebaGeneralizedKirkwoodForceImpl | This is the internal implementation of AmoebaGeneralizedKirkwoodForce |
CAmoebaInPlaneAngleForce | This class implements an interaction at trigonal centers corresponding to the projected in-plane angle bend energy between four particles |
CAmoebaInPlaneAngleForceImpl | This is the internal implementation of AmoebaInPlaneAngleForce |
CAmoebaMultipoleForce | This class implements the Amoeba multipole interaction |
CAmoebaMultipoleForceImpl | This is the internal implementation of AmoebaMultipoleForce |
CAmoebaOutOfPlaneBendForce | This class implements the Amoeba out-of-plane bend interaction |
CAmoebaOutOfPlaneBendForceImpl | This is the internal implementation of AmoebaOutOfPlaneBendForce |
CAmoebaPiTorsionForce | This class implements the Amoeba pi-torsion interaction |
CAmoebaPiTorsionForceImpl | This is the internal implementation of AmoebaPiTorsionForce |
CAmoebaStretchBendForce | This class implements the Amoeba stretch-bend interaction |
CAmoebaStretchBendForceImpl | This is the internal implementation of AmoebaStretchBendForce |
CAmoebaTorsionTorsionForce | This class implements the Amoeba torsion-torsion interaction |
CAmoebaTorsionTorsionForceImpl | This is the internal implementation of AmoebaTorsionTorsionForce |
CAmoebaVdwForce | This class implements a buffered 14-7 potential used to model van der Waals forces |
CAmoebaVdwForceImpl | This is the internal implementation of AmoebaVdwForce |
CAmoebaWcaDispersionForce | This class implements a nonbonded interaction between pairs of particles typically used along with AmoebaGeneralizedKirkwoodForce as part of an implicit solvent model |
CAmoebaWcaDispersionForceImpl | This is the internal implementation of AmoebaWcaDispersionForce |
CAndersenThermostat | This class uses the Andersen method to maintain constant temperature |
CAndersenThermostatImpl | This is the internal implementation of AndersenThermostat |
CBrownianIntegrator | This is an Integrator which simulates a System using Brownian dynamics |
CCMAPTorsionForce | This class implements an interaction between pairs of dihedral angles |
CCMAPTorsionForceImpl | This is the internal implementation of CMAPTorsionForce |
CCMMotionRemover | This class prevents the center of mass of a System from drifting |
CCMMotionRemoverImpl | This is the internal implementation of CMMotionRemover |
CContext | A Context stores the complete state of a simulation |
CContextImpl | This is the internal implementation of a Context |
CContinuous1DFunction | This is a TabulatedFunction that computes a continuous one dimensional function |
CContinuous2DFunction | This is a TabulatedFunction that computes a continuous two dimensional function |
CContinuous3DFunction | This is a TabulatedFunction that computes a continuous three dimensional function |
CCustomAngleForce | This class implements interactions between sets of three particles that depend on the angle between them |
CCustomAngleForceImpl | This is the internal implementation of CustomAngleForce |
CCustomBondForce | This class implements bonded interactions between pairs of particles |
CCustomBondForceImpl | This is the internal implementation of CustomBondForce |
CCustomCompoundBondForce | This class supports a wide variety of bonded interactions |
CCustomCompoundBondForceImpl | This is the internal implementation of CustomCompoundBondForce |
CCustomExternalForce | This class implements an "external" force on particles |
CCustomExternalForceImpl | This is the internal implementation of CustomExternalForce |
CCustomGBForce | This class implements complex, multiple stage nonbonded interactions between particles |
CCustomGBForceImpl | This is the internal implementation of CustomGBForce |
CCustomHbondForce | This class supports a wide variety of energy functions used to represent hydrogen bonding |
CCustomHbondForceImpl | This is the internal implementation of CustomHbondForce |
CCustomIntegrator | This is an Integrator that can be used to implemented arbitrary, user defined integration algorithms |
CCustomManyParticleForce | This class supports a wide variety of nonbonded N-particle interactions, where N is user specified |
CCustomManyParticleForceImpl | This is the internal implementation of CustomManyParticleForce |
CCustomNonbondedForce | This class implements nonbonded interactions between particles |
CCustomNonbondedForceImpl | This is the internal implementation of CustomNonbondedForce |
CCustomTorsionForce | This class implements interactions between sets of four particles that depend on the torsion angle between them |
CCustomTorsionForceImpl | This is the internal implementation of CustomTorsionForce |
CDiscrete1DFunction | This is a TabulatedFunction that computes a discrete one dimensional function f(x) |
CDiscrete2DFunction | This is a TabulatedFunction that computes a discrete two dimensional function f(x,y) |
CDiscrete3DFunction | This is a TabulatedFunction that computes a discrete three dimensional function f(x,y,z) |
CDrudeForce | This class implements forces that are specific to Drude oscillators |
CDrudeForceImpl | This is the internal implementation of DrudeForce |
CDrudeLangevinIntegrator | This Integrator simulates systems that include Drude particles |
CDrudeSCFIntegrator | This is a leap-frog Verlet Integrator that simulates systems with Drude particles |
CForce | Force objects apply forces to the particles in a System, or alter their behavior in other ways |
CForceImpl | A ForceImpl provides the internal implementation of a Force |
CGBSAOBCForce | This class implements an implicit solvation force using the GBSA-OBC model |
CGBSAOBCForceImpl | This is the internal implementation of GBSAOBCForce |
CGBVIForce | This class implements an implicit solvation force using the GB/VI model |
CGBVIForceImpl | This is the internal implementation of GBVIForce |
CHarmonicAngleForce | This class implements an interaction between groups of three particles that varies harmonically with the angle between them |
CHarmonicAngleForceImpl | This is the internal implementation of HarmonicAngleForce |
CHarmonicBondForce | This class implements an interaction between pairs of particles that varies harmonically with the distance between them |
CHarmonicBondForceImpl | This is the internal implementation of HarmonicBondForce |
CIntegrator | An Integrator defines a method for simulating a System by integrating the equations of motion |
CKernel | A Kernel encapsulates a particular implementation of a calculation that can be performed on the data in a Context |
CKernelFactory | A KernelFactory is an object that can create KernelImpls |
CKernelImpl | A KernelImpl defines the internal implementation of a Kernel object |
CLangevinIntegrator | This is an Integrator which simulates a System using Langevin dynamics |
CLocalCoordinatesSite | 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 |
CLocalEnergyMinimizer | Given a Context, this class searches for a new set of particle positions that represent a local minimum of the potential energy |
CMonteCarloAnisotropicBarostat | This class uses a Monte Carlo algorithm to adjust the size of the periodic box, simulating the effect of constant pressure |
CMonteCarloAnisotropicBarostatImpl | This is the internal implementation of MonteCarloAnisotropicBarostat |
CMonteCarloBarostat | This class uses a Monte Carlo algorithm to adjust the size of the periodic box, simulating the effect of constant pressure |
CMonteCarloBarostatImpl | This is the internal implementation of MonteCarloBarostat |
CMonteCarloMembraneBarostat | This is a Monte Carlo barostat designed specifically for membrane simulations |
CMonteCarloMembraneBarostatImpl | This is the internal implementation of MonteCarloMembraneBarostat |
CNonbondedForce | 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 |
CNonbondedForceImpl | This is the internal implementation of NonbondedForce |
COpenMMException | This class is used for all exceptions thrown by OpenMM |
COutOfPlaneSite | This is a VirtualSite that computes the particle location based on three other particles' locations |
CPeriodicTorsionForce | This class implements an interaction between groups of four particles that varies periodically with the torsion angle between them |
CPeriodicTorsionForceImpl | This is the internal implementation of PeriodicTorsionForce |
CPlatform | A Platform defines an implementation of all the kernels needed to perform some calculation |
CRBTorsionForce | This class implements an interaction between groups of four particles that varies with the torsion angle between them according to the Ryckaert-Bellemans potential |
CRBTorsionForceImpl | This is the internal implementation of RBTorsionForce |
CRPMDIntegrator | This is an Integrator which simulates a System using ring polymer molecular dynamics (RPMD) |
CSplineFitter | SplineFitter provides routines for performing cubic spline interpolation |
CState | A State object records a snapshot of the current state of a simulation at a point in time |
CSystem | This class represents a molecular system |
CTabulatedFunction | A TabulatedFunction uses a set of tabulated values to define a mathematical function |
CThreadPool | A ThreadPool creates a set of worker threads that can be used to execute tasks in parallel |
CThreeParticleAverageSite | This is a VirtualSite that computes the particle location as a weighted average of three other particle's locations |
CTwoParticleAverageSite | This is a VirtualSite that computes the particle location as a weighted average of two other particle's locations |
CVariableLangevinIntegrator | This is an error contolled, variable time step Integrator that simulates a System using Langevin dynamics |
CVariableVerletIntegrator | This is an error contolled, variable time step Integrator that simulates a System using the leap-frog Verlet algorithm |
CVec3 | This class represents a three component vector |
CVerletIntegrator | This is an Integrator which simulates a System using the leap-frog Verlet algorithm |
CVirtualSite | A VirtualSite describes the rules for computing a particle's position based on other particles |
CXmlSerializer | XmlSerializer is used for serializing objects as XML, and for reconstructing them again |
Cfvec4 | A four element vector of floats |
Cfvec8 | An eight element vector of floats |
Civec4 | A four element vector of ints |
Civec8 | An eight element vector of ints |