openmmtools.integrators.GHMCIntegrator
======================================

.. currentmodule:: openmmtools.integrators

.. autoclass:: GHMCIntegrator

   
   .. automethod:: __init__

   
   .. rubric:: Methods

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

   
   
   .. rubric:: Attributes

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