openmmtools.integrators.BAOABIntegrator
=======================================

.. currentmodule:: openmmtools.integrators

.. autoclass:: BAOABIntegrator

   
   .. automethod:: __init__

   
   .. rubric:: Methods

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

   
   
   .. rubric:: Attributes

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