From 3ed39bedc999a384ba6d5a65bee11de7df48ffd2 Mon Sep 17 00:00:00 2001 From: Dylan Date: Fri, 22 Nov 2024 12:29:32 +0000 Subject: [PATCH] Commented __init__ import and __all__ --- dfttoolkit/__init__.py | 74 +++++++++++++++++++++--------------------- 1 file changed, 37 insertions(+), 37 deletions(-) diff --git a/dfttoolkit/__init__.py b/dfttoolkit/__init__.py index c4f5b04..833fa3c 100644 --- a/dfttoolkit/__init__.py +++ b/dfttoolkit/__init__.py @@ -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", +# ]