Index

Symbols

--config_machine command line option --durations command line option --epr command line option --epr_tags command line option --exclude-epr_tags command line option --exclude-tags command line option --keep_epr command line option

--keep_perturbo command line option --keep_preliminary command line option --run_qe2pert command line option --source_folder command line option --tags command line option --test-names command line option -s command line option

C

clean_epr_folders() (in module perturbopy.test_utils.run_test.test_driver) clean_test_materials() (in module perturbopy.test_utils.run_test.test_driver) close_hdf5() (in module perturbopy.io_utils.io) command line option --config_machine --durations --epr --epr_tags --exclude-epr_tags --exclude-tags --keep_epr --keep_perturbo --keep_preliminary --run_qe2pert --source_folder --tags --test-names -s

config_machine() (in module perturbopy.conftest) copy_folder_with_softlinks() (in module perturbopy.test_utils.run_test.env_utils)

D

define_nq_num() (in module perturbopy.test_utils.run_test.run_utils)

do_tests() (in module perturbopy.tests_use)

E

equal_dict() (in module perturbopy.test_utils.compare_data.h5) (in module perturbopy.test_utils.compare_data.yaml) equal_list() (in module perturbopy.test_utils.compare_data.yaml) equal_ndarray() (in module perturbopy.test_utils.compare_data.h5)

equal_scalar() (in module perturbopy.test_utils.compare_data.h5) (in module perturbopy.test_utils.compare_data.yaml) equal_values() (in module perturbopy.test_utils.compare_data.compare) (in module perturbopy.test_utils.compare_data.h5) (in module perturbopy.test_utils.compare_data.yaml)

F

filter_tests() (in module perturbopy.test_utils.run_test.run_utils)

format_string() (in module perturbopy.test_utils.compare_data.h5)

G

get_all_tests() (in module perturbopy.test_utils.run_test.run_utils)

get_test_materials() (in module perturbopy.test_utils.run_test.test_driver) get_tol() (in module perturbopy.test_utils.run_test.run_utils)

H

hdf5_to_dict() (in module perturbopy.test_utils.compare_data.h5)

K

keep_perturbo() (in module perturbopy.conftest)

key_in_dict() (in module perturbopy.test_utils.run_test.run_utils)

M

module perturbopy perturbopy.conftest perturbopy.io_utils perturbopy.io_utils.io perturbopy.test_utils perturbopy.test_utils.compare_data perturbopy.test_utils.compare_data.compare perturbopy.test_utils.compare_data.h5 perturbopy.test_utils.compare_data.yaml perturbopy.test_utils.run_test perturbopy.test_utils.run_test.env_utils perturbopy.test_utils.run_test.run_utils perturbopy.test_utils.run_test.test_driver perturbopy.testing_code perturbopy.testing_code.test_functions perturbopy.tests_use

O

open_hdf5() (in module perturbopy.io_utils.io)

open_yaml() (in module perturbopy.io_utils.io)

P

perturbo_scratch_dir_config() (in module perturbopy.test_utils.run_test.env_utils) perturbopy module perturbopy.conftest module perturbopy.io_utils module perturbopy.io_utils.io module perturbopy.test_utils module perturbopy.test_utils.compare_data module perturbopy.test_utils.compare_data.compare module perturbopy.test_utils.compare_data.h5 module perturbopy.test_utils.compare_data.yaml module

perturbopy.test_utils.run_test module perturbopy.test_utils.run_test.env_utils module perturbopy.test_utils.run_test.run_utils module perturbopy.test_utils.run_test.test_driver module perturbopy.testing_code module perturbopy.testing_code.test_functions module perturbopy.tests_use module ph_collection() (in module perturbopy.test_utils.run_test.run_utils) preliminary_commands() (in module perturbopy.test_utils.run_test.test_driver) print_test_info() (in module perturbopy.test_utils.run_test.run_utils) pytest_addoption() (in module perturbopy.conftest) pytest_generate_tests() (in module perturbopy.conftest) pytest_terminal_summary() (in module perturbopy.conftest)

R

read_test_tags() (in module perturbopy.test_utils.run_test.run_utils) run_epr_calculation() (in module perturbopy.test_utils.run_test.test_driver) run_from_config_machine() (in module perturbopy.test_utils.run_test.env_utils) run_nscf() (in module perturbopy.test_utils.run_test.test_driver) run_perturbo() (in module perturbopy.test_utils.run_test.test_driver)

run_phonon() (in module perturbopy.test_utils.run_test.test_driver) run_qe2pert() (in module perturbopy.conftest) (in module perturbopy.test_utils.run_test.test_driver) run_scf() (in module perturbopy.test_utils.run_test.test_driver) run_wannier() (in module perturbopy.test_utils.run_test.test_driver)

S

save_dict_to_hdf5() (in module perturbopy.test_utils.compare_data.h5) setup_default_tol() (in module perturbopy.test_utils.run_test.run_utils)

softlink_epr_files() (in module perturbopy.test_utils.run_test.env_utils) source_folder() (in module perturbopy.conftest)

T

test_name() (in module perturbopy.conftest) test_perturbo() (in module perturbopy.testing_code.test_functions)

test_perturbo_for_qe2pert() (in module perturbopy.testing_code.test_functions) test_qe2pert() (in module perturbopy.testing_code.test_functions)