openmmtools.integrators.ThermostatedIntegrator
==============================================

.. currentmodule:: openmmtools.integrators

.. autoclass:: ThermostatedIntegrator

   
   .. automethod:: __init__

   
   .. rubric:: Methods

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

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~ThermostatedIntegrator.BlockEnd
      ~ThermostatedIntegrator.ComputeGlobal
      ~ThermostatedIntegrator.ComputePerDof
      ~ThermostatedIntegrator.ComputeSum
      ~ThermostatedIntegrator.ConstrainPositions
      ~ThermostatedIntegrator.ConstrainVelocities
      ~ThermostatedIntegrator.IfBlockStart
      ~ThermostatedIntegrator.UpdateContextState
      ~ThermostatedIntegrator.WhileBlockStart
      ~ThermostatedIntegrator.global_variable_names
      ~ThermostatedIntegrator.kT
      ~ThermostatedIntegrator.thisown