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Commented __init__ import and __all__
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dylanbmorgan committed Nov 22, 2024
1 parent a7ebfa9 commit 3ed39be
Showing 1 changed file with 37 additions and 37 deletions.
74 changes: 37 additions & 37 deletions dfttoolkit/__init__.py
Original file line number Diff line number Diff line change
@@ -1,38 +1,38 @@
from .benchmarking import BenchmarkAims
from .custom_ase import CustomAims
from .friction import FrictionTensor
from .geometry import AimsGeometry, VaspGeometry, XSFGeometry, XYZGeometry
from .output import AimsOutput, ELSIOutput
from .parameters import AimsControl
from .trajectory import MDTrajectory
from .utils import math_utils, units
from .utils.file_utils import aims_bin_path_prompt, check_required_files
from .utils.geometry_utils import read_xyz_animation
from .utils.periodic_table import PeriodicTable
from .utils.run_utils import no_repeat
from .vibrations import AimsVibrations, VaspVibrations
from .visualise import VisualiseAims
# from .benchmarking import BenchmarkAims
# from .custom_ase import CustomAims
# from .friction import FrictionTensor
# from .geometry import AimsGeometry, VaspGeometry, XSFGeometry, XYZGeometry
# from .output import AimsOutput, ELSIOutput
# from .parameters import AimsControl
# from .trajectory import MDTrajectory
# from .utils import math_utils, units
# from .utils.file_utils import aims_bin_path_prompt, check_required_files
# from .utils.geometry_utils import read_xyz_animation
# from .utils.periodic_table import PeriodicTable
# from .utils.run_utils import no_repeat
# from .vibrations import AimsVibrations, VaspVibrations
# from .visualise import VisualiseAims

__all__ = [
"BenchmarkAims",
"CustomAims",
"FrictionTensor",
"AimsGeometry",
"VaspGeometry",
"XSFGeometry",
"XYZGeometry",
"AimsOutput",
"ELSIOutput",
"AimsControl",
"MDTrajectory",
"math_utils",
"units",
"aims_bin_path_prompt",
"check_required_files",
"read_xyz_animation",
"PeriodicTable",
"no_repeat",
"AimsVibrations",
"VaspVibrations",
"VisualiseAims",
]
# __all__ = [
# "BenchmarkAims",
# "CustomAims",
# "FrictionTensor",
# "AimsGeometry",
# "VaspGeometry",
# "XSFGeometry",
# "XYZGeometry",
# "AimsOutput",
# "ELSIOutput",
# "AimsControl",
# "MDTrajectory",
# "math_utils",
# "units",
# "aims_bin_path_prompt",
# "check_required_files",
# "read_xyz_animation",
# "PeriodicTable",
# "no_repeat",
# "AimsVibrations",
# "VaspVibrations",
# "VisualiseAims",
# ]

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