perturbopy.test_utils.run_test.test_driver

Run an executable for the testsuite.

Functions

clean_epr_folders

Delete all temporary epr folders for the tests which were passed

clean_test_materials

clean one test:

get_test_materials

Run one test:

preliminary_commands

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

run_epr_calculation

run_perturbo

Function to run Perturbo and produce output files

run_qe2pert

Function for qe2pert calculation