openmmtools.integrators.PeriodicNonequilibriumIntegrator ======================================================== .. currentmodule:: openmmtools.integrators .. autoclass:: PeriodicNonequilibriumIntegrator .. automethod:: __init__ .. rubric:: Methods .. autosummary:: ~PeriodicNonequilibriumIntegrator.__init__ ~PeriodicNonequilibriumIntegrator.addComputeGlobal ~PeriodicNonequilibriumIntegrator.addComputePerDof ~PeriodicNonequilibriumIntegrator.addComputeSum ~PeriodicNonequilibriumIntegrator.addComputeTemperatureDependentConstants ~PeriodicNonequilibriumIntegrator.addConstrainPositions ~PeriodicNonequilibriumIntegrator.addConstrainVelocities ~PeriodicNonequilibriumIntegrator.addGlobalVariable ~PeriodicNonequilibriumIntegrator.addPerDofVariable ~PeriodicNonequilibriumIntegrator.addTabulatedFunction ~PeriodicNonequilibriumIntegrator.addUpdateContextState ~PeriodicNonequilibriumIntegrator.beginIfBlock ~PeriodicNonequilibriumIntegrator.beginWhileBlock ~PeriodicNonequilibriumIntegrator.deserialize_xml ~PeriodicNonequilibriumIntegrator.endBlock ~PeriodicNonequilibriumIntegrator.getComputationStep ~PeriodicNonequilibriumIntegrator.getConstraintTolerance ~PeriodicNonequilibriumIntegrator.getGlobalVariable ~PeriodicNonequilibriumIntegrator.getGlobalVariableByName ~PeriodicNonequilibriumIntegrator.getGlobalVariableName ~PeriodicNonequilibriumIntegrator.getIntegrationForceGroups ~PeriodicNonequilibriumIntegrator.getKineticEnergyExpression ~PeriodicNonequilibriumIntegrator.getNumComputations ~PeriodicNonequilibriumIntegrator.getNumGlobalVariables ~PeriodicNonequilibriumIntegrator.getNumPerDofVariables ~PeriodicNonequilibriumIntegrator.getNumTabulatedFunctions ~PeriodicNonequilibriumIntegrator.getPerDofVariable ~PeriodicNonequilibriumIntegrator.getPerDofVariableByName ~PeriodicNonequilibriumIntegrator.getPerDofVariableName ~PeriodicNonequilibriumIntegrator.getRandomNumberSeed ~PeriodicNonequilibriumIntegrator.getStepSize ~PeriodicNonequilibriumIntegrator.getTabulatedFunction ~PeriodicNonequilibriumIntegrator.getTabulatedFunctionName ~PeriodicNonequilibriumIntegrator.getTemperature ~PeriodicNonequilibriumIntegrator.get_acceptance_rate ~PeriodicNonequilibriumIntegrator.get_heat ~PeriodicNonequilibriumIntegrator.get_protocol_work ~PeriodicNonequilibriumIntegrator.get_shadow_work ~PeriodicNonequilibriumIntegrator.get_total_work ~PeriodicNonequilibriumIntegrator.is_restorable ~PeriodicNonequilibriumIntegrator.is_thermostated ~PeriodicNonequilibriumIntegrator.pretty_format ~PeriodicNonequilibriumIntegrator.pretty_print ~PeriodicNonequilibriumIntegrator.reset ~PeriodicNonequilibriumIntegrator.reset_ghmc_statistics ~PeriodicNonequilibriumIntegrator.reset_heat ~PeriodicNonequilibriumIntegrator.reset_protocol_work ~PeriodicNonequilibriumIntegrator.reset_shadow_work ~PeriodicNonequilibriumIntegrator.restore_interface ~PeriodicNonequilibriumIntegrator.setConstraintTolerance ~PeriodicNonequilibriumIntegrator.setGlobalVariable ~PeriodicNonequilibriumIntegrator.setGlobalVariableByName ~PeriodicNonequilibriumIntegrator.setIntegrationForceGroups ~PeriodicNonequilibriumIntegrator.setKineticEnergyExpression ~PeriodicNonequilibriumIntegrator.setPerDofVariable ~PeriodicNonequilibriumIntegrator.setPerDofVariableByName ~PeriodicNonequilibriumIntegrator.setRandomNumberSeed ~PeriodicNonequilibriumIntegrator.setStepSize ~PeriodicNonequilibriumIntegrator.setTemperature ~PeriodicNonequilibriumIntegrator.step .. rubric:: Attributes .. autosummary:: ~PeriodicNonequilibriumIntegrator.BlockEnd ~PeriodicNonequilibriumIntegrator.ComputeGlobal ~PeriodicNonequilibriumIntegrator.ComputePerDof ~PeriodicNonequilibriumIntegrator.ComputeSum ~PeriodicNonequilibriumIntegrator.ConstrainPositions ~PeriodicNonequilibriumIntegrator.ConstrainVelocities ~PeriodicNonequilibriumIntegrator.IfBlockStart ~PeriodicNonequilibriumIntegrator.UpdateContextState ~PeriodicNonequilibriumIntegrator.WhileBlockStart ~PeriodicNonequilibriumIntegrator.acceptance_rate ~PeriodicNonequilibriumIntegrator.global_variable_names ~PeriodicNonequilibriumIntegrator.heat ~PeriodicNonequilibriumIntegrator.is_metropolized ~PeriodicNonequilibriumIntegrator.kT ~PeriodicNonequilibriumIntegrator.protocol_work ~PeriodicNonequilibriumIntegrator.shadow_work ~PeriodicNonequilibriumIntegrator.thisown ~PeriodicNonequilibriumIntegrator.total_work