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.)