perturbopy.test_utils.run_test.test_driver.run_qe2pert

perturbopy.test_utils.run_test.test_driver.run_qe2pert(source_folder, work_path, config_machine, prefix, input_name='qe2pert.in', output_name='qe2pert.out')

Function for qe2pert calculation

Parameters:

• source_folder (str) – path of source directory

• work_path (str) – path to dir with input file, where we’ll run the calculations

• config_machine (dict) – dictionary, which include the commands for qe2pert calculation

• prefix (str) – prefix which we use for the filenames

• input_name (str, optional) – name of the input file, default: ‘qe2pert.in’

• output_name (str, optional) – name of the output file, default: ‘qe2pert.out’

Return type:

None