diff --git a/tests/io/test_fleur_inpgen.py b/tests/io/test_fleur_inpgen.py index 8c1063402..db007476a 100644 --- a/tests/io/test_fleur_inpgen.py +++ b/tests/io/test_fleur_inpgen.py @@ -13,7 +13,12 @@ def test_write_inpgen_file_defaults_dict(file_regression): param = 5.43 cell = [[0, param / 2., param / 2.], [param / 2., 0, param / 2.], [param / 2., param / 2., 0]] - kinds = [{'symbols': ('Si',), 'weights': (1.0,), 'mass': 28.0855, 'name': 'Si'}] + kinds = [{ + 'symbols': ('Si',), + 'weights': (1.0,), + 'mass': 28.0855, + 'name': 'Si' + }] sites = [{ 'position': (0.0, 0.0, 0.0), 'kind_name': 'Si' @@ -37,7 +42,12 @@ def test_write_inpgen_file_magmom_str(file_regression): param = 5.43 cell = [[0, param / 2., param / 2.], [param / 2., 0, param / 2.], [param / 2., param / 2., 0]] - kinds = [{'symbols': ('Si',), 'weights': (1.0,), 'mass': 28.0855, 'name': 'Si'}] + kinds = [{ + 'symbols': ('Si',), + 'weights': (1.0,), + 'mass': 28.0855, + 'name': 'Si' + }] sites = [{ 'position': (0.0, 0.0, 0.0), 'kind_name': 'Si', @@ -63,7 +73,12 @@ def test_write_inpgen_file_magmom_float(file_regression): param = 5.43 cell = [[0, param / 2., param / 2.], [param / 2., 0, param / 2.], [param / 2., param / 2., 0]] - kinds = [{'symbols': ('Si',), 'weights': (1.0,), 'mass': 28.0855, 'name': 'Si'}] + kinds = [{ + 'symbols': ('Si',), + 'weights': (1.0,), + 'mass': 28.0855, + 'name': 'Si' + }] sites = [{ 'position': (0.0, 0.0, 0.0), 'kind_name': 'Si', @@ -89,7 +104,12 @@ def test_write_inpgen_file_magmom_list(file_regression): param = 5.43 cell = [[0, param / 2., param / 2.], [param / 2., 0, param / 2.], [param / 2., param / 2., 0]] - kinds = [{'symbols': ('Si',), 'weights': (1.0,), 'mass': 28.0855, 'name': 'Si'}] + kinds = [{ + 'symbols': ('Si',), + 'weights': (1.0,), + 'mass': 28.0855, + 'name': 'Si' + }] sites = [{ 'position': (0.0, 0.0, 0.0), 'kind_name': 'Si', @@ -115,7 +135,12 @@ def test_write_inpgen_file_defaults_dict_filename(file_regression): param = 5.43 cell = [[0, param / 2., param / 2.], [param / 2., 0, param / 2.], [param / 2., param / 2., 0]] - kinds = [{'symbols': ('Si',), 'weights': (1.0,), 'mass': 28.0855, 'name': 'Si'}] + kinds = [{ + 'symbols': ('Si',), + 'weights': (1.0,), + 'mass': 28.0855, + 'name': 'Si' + }] sites = [{ 'position': (0.0, 0.0, 0.0), 'kind_name': 'Si' @@ -140,7 +165,12 @@ def test_write_inpgen_file_defaults_str(file_regression): param = 5.43 cell = [[0, param / 2., param / 2.], [param / 2., 0, param / 2.], [param / 2., param / 2., 0]] - kinds = [{'symbols': ('Si',), 'weights': (1.0,), 'mass': 28.0855, 'name': 'Si'}] + kinds = [{ + 'symbols': ('Si',), + 'weights': (1.0,), + 'mass': 28.0855, + 'name': 'Si' + }] sites = [{ 'position': (0.0, 0.0, 0.0), 'kind_name': 'Si' @@ -197,7 +227,12 @@ def test_write_inpgen_file_parameters(file_regression): param = 5.43 cell = [[0, param / 2., param / 2.], [param / 2., 0, param / 2.], [param / 2., param / 2., 0]] - kinds = [{'symbols': ('Si',), 'weights': (1.0,), 'mass': 28.0855, 'name': 'Si'}] + kinds = [{ + 'symbols': ('Si',), + 'weights': (1.0,), + 'mass': 28.0855, + 'name': 'Si' + }] sites = [{ 'position': (0.0, 0.0, 0.0), 'kind_name': 'Si' @@ -242,7 +277,12 @@ def test_write_inpgen_file_econfig(file_regression): param = 5.43 cell = [[0, param / 2., param / 2.], [param / 2., 0, param / 2.], [param / 2., param / 2., 0]] - kinds = [{'symbols': ('Si',), 'weights': (1.0,), 'mass': 28.0855, 'name': 'Si'}] + kinds = [{ + 'symbols': ('Si',), + 'weights': (1.0,), + 'mass': 28.0855, + 'name': 'Si' + }] sites = [{ 'position': (0.0, 0.0, 0.0), 'kind_name': 'Si' @@ -289,7 +329,12 @@ def test_write_inpgen_file_soc_qss(file_regression): param = 5.43 cell = [[0, param / 2., param / 2.], [param / 2., 0, param / 2.], [param / 2., param / 2., 0]] - kinds = [{'symbols': ('Si',), 'weights': (1.0,), 'mass': 28.0855, 'name': 'Si'}] + kinds = [{ + 'symbols': ('Si',), + 'weights': (1.0,), + 'mass': 28.0855, + 'name': 'Si' + }] sites = [{ 'position': (0.0, 0.0, 0.0), 'kind_name': 'Si'