openmmtools.integrators.AlchemicalNonequilibriumLangevinIntegrator
==================================================================

.. currentmodule:: openmmtools.integrators

.. autoclass:: AlchemicalNonequilibriumLangevinIntegrator

   
   .. automethod:: __init__

   
   .. rubric:: Methods

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

   
   
   .. rubric:: Attributes

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