Uses of Class
ffx.openmm.Context
Packages that use Context
Package
Description
The OpenMM package includes Java classes that are analogues of the OpenMM C++ API.
The AMOEBA package includes Java classes that are analogues of the OpenMM C++ API
for the AMOEBA model.
The Drude package includes Java classes that are analogues of the OpenMM C++ API
for the Charmm Drude model.
The openmm package contains utilities to construct and run Force Field X
potentials on the OpenMM platform, including system builders, custom forces,
alchemical fixed-charge forces, and integrators tailored to FFX simulations.
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Uses of Context in ffx.openmm
Methods in ffx.openmm with parameters of type ContextModifier and TypeMethodDescriptiondoubleMonteCarloBarostat.computeCurrentPressure(Context context) Compute the instantaneous pressure of a system to which this barostat is applied.voidMonteCarloFlexibleBarostat.computeCurrentPressure(Context context, com.sun.jna.ptr.PointerByReference pressure) Compute the current pressure in the system.voidCustomCVForce.getCollectiveVariableValues(Context context, com.sun.jna.ptr.PointerByReference values) Get the values of all collective variables in a given context.com.sun.jna.ptr.PointerByReferenceCustomCVForce.getInnerContext(Context context) Get the inner context used for evaluating collective variables.voidATMForce.getPerturbationEnergy(Context context, com.sun.jna.ptr.DoubleByReference u0, com.sun.jna.ptr.DoubleByReference u1, com.sun.jna.ptr.DoubleByReference energy) Returns the current perturbation energy.voidATMForce.getPerturbationEnergy(Context context, DoubleBuffer u0, DoubleBuffer u1, DoubleBuffer energy) Returns the current perturbation energy.Platform.getPropertyValue(Context context, String property) Get the value of a context-specific platform property.voidPlatform.setPropertyValue(Context context, String property, String value) Set the value of a context-specific platform property.voidATMForce.updateParametersInContext(Context context) Update the per-particle parameters in a Context to match those stored in this Force object.voidCMAPTorsionForce.updateParametersInContext(Context context) Update the map and torsion parameters in a Context to match those stored in this Force object.voidCustomAngleForce.updateParametersInContext(Context context) Update the parameters in the OpenMM Context.voidCustomBondForce.updateParametersInContext(Context context) Update the parameters in the OpenMM Context.voidCustomCentroidBondForce.updateParametersInContext(Context context) Update the per-bond parameters and tabulated functions in a Context to match those stored in this Force object.voidCustomCompoundBondForce.updateParametersInContext(Context context) Update the parameters in the context.voidCustomCVForce.updateParametersInContext(Context context) Update the parameters in a Context to match those stored in this Force object.voidCustomExternalForce.updateParametersInContext(Context context) Update the parameters in the context.voidCustomGBForce.updateParametersInContext(Context context) Update the parameters in the context.voidCustomHbondForce.updateParametersInContext(Context context) Update the parameters in a Context to match those stored in this Force object.voidCustomManyParticleForce.updateParametersInContext(Context context) Update the per-particle parameters and tabulated functions in a Context to match those stored in this Force object.voidCustomNonbondedForce.updateParametersInContext(Context context) Update the per-particle parameters and tabulated functions in a Context to match those stored in this Force object.voidCustomTorsionForce.updateParametersInContext(Context context) Update the per-torsion parameters in a Context to match those stored in this Force object.voidGayBerneForce.updateParametersInContext(Context context) Update the parameters in a Context to match those stored in this Force object.voidGBSAOBCForce.updateParametersInContext(Context context) Update the particle parameters in a Context to match those stored in this Force object.voidHarmonicAngleForce.updateParametersInContext(Context context) Update the parameters in the OpenMM Context.voidHarmonicBondForce.updateParametersInContext(Context context) Update the parameters in the OpenMM Context.voidNonbondedForce.updateParametersInContext(Context context) Update the parameters in the context.voidPeriodicTorsionForce.updateParametersInContext(Context context) Update the parameters in the OpenMM Context.voidRBTorsionForce.updateParametersInContext(Context context) Update the parameters in the OpenMM Context.voidRMSDForce.updateParametersInContext(Context context) Update the reference positions and particle indices in a Context to match those stored in this Force object. -
Uses of Context in ffx.openmm.amoeba
Methods in ffx.openmm.amoeba with parameters of type ContextModifier and TypeMethodDescriptionvoidHippoNonbondedForce.getDPMEParametersInContext(Context context, com.sun.jna.ptr.DoubleByReference alpha, com.sun.jna.ptr.IntByReference nx, com.sun.jna.ptr.IntByReference ny, com.sun.jna.ptr.IntByReference nz) Get the DPME parameters in context.voidHippoNonbondedForce.getDPMEParametersInContext(Context context, DoubleBuffer alpha, IntBuffer nx, IntBuffer ny, IntBuffer nz) Get the DPME parameters in context.MultipoleForce.getElectrostaticPotential(Context context, DoubleArray points) Get the electrostatic potential at specified points.voidHippoNonbondedForce.getInducedDipoles(Context context, com.sun.jna.ptr.PointerByReference dipoles) Get the induced dipoles.voidMultipoleForce.getInducedDipoles(Context context, DoubleArray inducedDipoles) Get the induced dipoles.voidHippoNonbondedForce.getLabFramePermanentDipoles(Context context, com.sun.jna.ptr.PointerByReference dipoles) Get the lab frame permanent dipoles.voidMultipoleForce.getLabFramePermanentDipoles(Context context, DoubleArray dipoles) Get the lab frame permanent dipoles.voidHippoNonbondedForce.getPMEParametersInContext(Context context, com.sun.jna.ptr.DoubleByReference alpha, com.sun.jna.ptr.IntByReference nx, com.sun.jna.ptr.IntByReference ny, com.sun.jna.ptr.IntByReference nz) Get the PME parameters in context.voidHippoNonbondedForce.getPMEParametersInContext(Context context, DoubleBuffer alpha, IntBuffer nx, IntBuffer ny, IntBuffer nz) Get the PME parameters in context.voidMultipoleForce.getPMEParametersInContext(Context context, com.sun.jna.ptr.DoubleByReference alpha, com.sun.jna.ptr.IntByReference nx, com.sun.jna.ptr.IntByReference ny, com.sun.jna.ptr.IntByReference nz) Get the PME parameters in the context.voidMultipoleForce.getSystemMultipoleMoments(Context context, DoubleArray moments) Get the system multipole moments.voidMultipoleForce.getTotalDipoles(Context context, DoubleArray dipoles) Get the total dipoles.voidGeneralizedKirkwoodForce.updateParametersInContext(Context context) Update the parameters in the context.voidGKCavitationForce.updateParametersInContext(Context context) Update the parameters in the context.voidHippoNonbondedForce.updateParametersInContext(Context context) Update the parameters in a Context to match those stored in this Force object.voidMultipoleForce.updateParametersInContext(Context context) Update the parameters in the context.voidVdwForce.updateParametersInContext(Context context) Update the per-particle parameters in a Context to match those stored in this Force object.voidWcaDispersionForce.updateParametersInContext(Context context) Update the per-particle parameters in a Context to match those stored in this Force object. -
Uses of Context in ffx.openmm.drude
Methods in ffx.openmm.drude with parameters of type ContextModifier and TypeMethodDescriptionvoidDrudeForce.updateParametersInContext(Context context) Update the particle and screened pair parameters in a Context to match those stored in this Force object. -
Uses of Context in ffx.potential.openmm
Subclasses of Context in ffx.potential.openmm