openmmtools.integrators.NonequilibriumLangevinIntegrator
========================================================

.. currentmodule:: openmmtools.integrators

.. autoclass:: NonequilibriumLangevinIntegrator

   
   .. automethod:: __init__

   
   .. rubric:: Methods

   .. autosummary::
   
      ~NonequilibriumLangevinIntegrator.__init__
      ~NonequilibriumLangevinIntegrator.addComputeGlobal
      ~NonequilibriumLangevinIntegrator.addComputePerDof
      ~NonequilibriumLangevinIntegrator.addComputeSum
      ~NonequilibriumLangevinIntegrator.addComputeTemperatureDependentConstants
      ~NonequilibriumLangevinIntegrator.addConstrainPositions
      ~NonequilibriumLangevinIntegrator.addConstrainVelocities
      ~NonequilibriumLangevinIntegrator.addGlobalVariable
      ~NonequilibriumLangevinIntegrator.addPerDofVariable
      ~NonequilibriumLangevinIntegrator.addTabulatedFunction
      ~NonequilibriumLangevinIntegrator.addUpdateContextState
      ~NonequilibriumLangevinIntegrator.beginIfBlock
      ~NonequilibriumLangevinIntegrator.beginWhileBlock
      ~NonequilibriumLangevinIntegrator.deserialize_xml
      ~NonequilibriumLangevinIntegrator.endBlock
      ~NonequilibriumLangevinIntegrator.getComputationStep
      ~NonequilibriumLangevinIntegrator.getConstraintTolerance
      ~NonequilibriumLangevinIntegrator.getGlobalVariable
      ~NonequilibriumLangevinIntegrator.getGlobalVariableByName
      ~NonequilibriumLangevinIntegrator.getGlobalVariableName
      ~NonequilibriumLangevinIntegrator.getIntegrationForceGroups
      ~NonequilibriumLangevinIntegrator.getKineticEnergyExpression
      ~NonequilibriumLangevinIntegrator.getNumComputations
      ~NonequilibriumLangevinIntegrator.getNumGlobalVariables
      ~NonequilibriumLangevinIntegrator.getNumPerDofVariables
      ~NonequilibriumLangevinIntegrator.getNumTabulatedFunctions
      ~NonequilibriumLangevinIntegrator.getPerDofVariable
      ~NonequilibriumLangevinIntegrator.getPerDofVariableByName
      ~NonequilibriumLangevinIntegrator.getPerDofVariableName
      ~NonequilibriumLangevinIntegrator.getRandomNumberSeed
      ~NonequilibriumLangevinIntegrator.getStepSize
      ~NonequilibriumLangevinIntegrator.getTabulatedFunction
      ~NonequilibriumLangevinIntegrator.getTabulatedFunctionName
      ~NonequilibriumLangevinIntegrator.getTemperature
      ~NonequilibriumLangevinIntegrator.get_acceptance_rate
      ~NonequilibriumLangevinIntegrator.get_heat
      ~NonequilibriumLangevinIntegrator.get_protocol_work
      ~NonequilibriumLangevinIntegrator.get_shadow_work
      ~NonequilibriumLangevinIntegrator.get_total_work
      ~NonequilibriumLangevinIntegrator.is_restorable
      ~NonequilibriumLangevinIntegrator.is_thermostated
      ~NonequilibriumLangevinIntegrator.pretty_format
      ~NonequilibriumLangevinIntegrator.pretty_print
      ~NonequilibriumLangevinIntegrator.reset
      ~NonequilibriumLangevinIntegrator.reset_ghmc_statistics
      ~NonequilibriumLangevinIntegrator.reset_heat
      ~NonequilibriumLangevinIntegrator.reset_protocol_work
      ~NonequilibriumLangevinIntegrator.reset_shadow_work
      ~NonequilibriumLangevinIntegrator.restore_interface
      ~NonequilibriumLangevinIntegrator.setConstraintTolerance
      ~NonequilibriumLangevinIntegrator.setGlobalVariable
      ~NonequilibriumLangevinIntegrator.setGlobalVariableByName
      ~NonequilibriumLangevinIntegrator.setIntegrationForceGroups
      ~NonequilibriumLangevinIntegrator.setKineticEnergyExpression
      ~NonequilibriumLangevinIntegrator.setPerDofVariable
      ~NonequilibriumLangevinIntegrator.setPerDofVariableByName
      ~NonequilibriumLangevinIntegrator.setRandomNumberSeed
      ~NonequilibriumLangevinIntegrator.setStepSize
      ~NonequilibriumLangevinIntegrator.setTemperature
      ~NonequilibriumLangevinIntegrator.step
   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~NonequilibriumLangevinIntegrator.BlockEnd
      ~NonequilibriumLangevinIntegrator.ComputeGlobal
      ~NonequilibriumLangevinIntegrator.ComputePerDof
      ~NonequilibriumLangevinIntegrator.ComputeSum
      ~NonequilibriumLangevinIntegrator.ConstrainPositions
      ~NonequilibriumLangevinIntegrator.ConstrainVelocities
      ~NonequilibriumLangevinIntegrator.IfBlockStart
      ~NonequilibriumLangevinIntegrator.UpdateContextState
      ~NonequilibriumLangevinIntegrator.WhileBlockStart
      ~NonequilibriumLangevinIntegrator.acceptance_rate
      ~NonequilibriumLangevinIntegrator.global_variable_names
      ~NonequilibriumLangevinIntegrator.heat
      ~NonequilibriumLangevinIntegrator.is_metropolized
      ~NonequilibriumLangevinIntegrator.kT
      ~NonequilibriumLangevinIntegrator.protocol_work
      ~NonequilibriumLangevinIntegrator.shadow_work
      ~NonequilibriumLangevinIntegrator.thisown
      ~NonequilibriumLangevinIntegrator.total_work