a3fe.run.Calculation
====================

.. currentmodule:: a3fe.run

.. autoclass:: Calculation

   
   .. automethod:: __init__

   
   .. rubric:: Methods

   .. autosummary::
   
      ~Calculation.__init__
      ~Calculation.analyse
      ~Calculation.analyse_convergence
      ~Calculation.clean
      ~Calculation.get_optimal_lam_vals
      ~Calculation.get_results_df
      ~Calculation.get_tot_gpu_time
      ~Calculation.get_tot_simtime
      ~Calculation.is_equilibrated
      ~Calculation.kill
      ~Calculation.lighten
      ~Calculation.recursively_get_attr
      ~Calculation.recursively_set_attr
      ~Calculation.reset
      ~Calculation.run
      ~Calculation.save
      ~Calculation.set_equilibration_time
      ~Calculation.setup
      ~Calculation.update_engine_config_option
      ~Calculation.update_paths
      ~Calculation.wait
   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~Calculation.class_count
      ~Calculation.delta_g
      ~Calculation.delta_g_er
      ~Calculation.equil_time
      ~Calculation.equilibrated
      ~Calculation.failed_simulations
      ~Calculation.input_dir
      ~Calculation.is_complete
      ~Calculation.legs
      ~Calculation.output_dir
      ~Calculation.prep_stage
      ~Calculation.required_input_files
      ~Calculation.run_files
      ~Calculation.running
      ~Calculation.runtime_attributes
      ~Calculation.stream_log_level
      ~Calculation.tot_gpu_time
      ~Calculation.tot_simtime