Auto3D.config.Auto3DOptions
===========================

.. currentmodule:: Auto3D.config

.. autoclass:: Auto3DOptions

   
   .. automethod:: __init__

   
   .. rubric:: Methods

   .. autosummary::
   
      ~Auto3DOptions.__init__
      ~Auto3DOptions.get
      ~Auto3DOptions.items
      ~Auto3DOptions.keys
      ~Auto3DOptions.to_optimization_config
   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~Auto3DOptions.allow_tf32
      ~Auto3DOptions.batchsize_atoms
      ~Auto3DOptions.capacity
      ~Auto3DOptions.convergence_threshold
      ~Auto3DOptions.enumerate_isomer
      ~Auto3DOptions.enumerate_tautomer
      ~Auto3DOptions.gpu_idx
      ~Auto3DOptions.isomer_engine
      ~Auto3DOptions.job_name
      ~Auto3DOptions.k
      ~Auto3DOptions.max_confs
      ~Auto3DOptions.memory
      ~Auto3DOptions.mode_oe
      ~Auto3DOptions.mpi_np
      ~Auto3DOptions.opt_steps
      ~Auto3DOptions.optimizing_engine
      ~Auto3DOptions.pKaNorm
      ~Auto3DOptions.path
      ~Auto3DOptions.patience
      ~Auto3DOptions.tauto_engine
      ~Auto3DOptions.threshold
      ~Auto3DOptions.use_gpu
      ~Auto3DOptions.verbose
      ~Auto3DOptions.window