perturbopy.test_utils.run_test.test_driver.preliminary_commands

perturbopy.test_utils.run_test.test_driver.preliminary_commands(config_machine, step)

Function which define all comands which you want to run before the qe2pert computations and each separate computation

Parameters:
  • config_machine (str) – dictionary, which include the list of running commands

  • step (str) – name of the computational step which is computed (‘scf’, ‘nscf’, etc.)