diff --git a/mctools/generic/get_energy.py b/mctools/generic/get_energy.py index e84a578..32d171f 100644 --- a/mctools/generic/get_energy.py +++ b/mctools/generic/get_energy.py @@ -17,7 +17,6 @@ # along with this program. If not, see . ############################################################################### -from __future__ import absolute_import, print_function from argparse import ArgumentParser import ase.io diff --git a/mctools/generic/get_minimum.py b/mctools/generic/get_minimum.py index 6d3f564..08d6d40 100644 --- a/mctools/generic/get_minimum.py +++ b/mctools/generic/get_minimum.py @@ -1,4 +1,3 @@ -from __future__ import print_function, absolute_import import argparse import ase.io @@ -49,7 +48,3 @@ def get_minimum(input_file='POSCAR', atoms.write(output_file, format="vasp", vasp5=True, direct=True) else: atoms.write(output_file, format=output_format) - - -if __name__ == "__main__": - main() diff --git a/mctools/generic/get_primitive.py b/mctools/generic/get_primitive.py index 66af8dd..e95ab66 100755 --- a/mctools/generic/get_primitive.py +++ b/mctools/generic/get_primitive.py @@ -1,13 +1,8 @@ -#!/usr/bin/env python - -from __future__ import print_function, absolute_import import argparse + import ase import ase.io -try: - from spglib import spglib -except ImportError: - from pyspglib import spglib +import spglib def main(): @@ -118,7 +113,3 @@ def vprint(*args): atoms.write(output_file, format="vasp", vasp5=True) else: atoms.write(output_file, format=output_format) - - -if __name__ == "__main__": - main() diff --git a/mctools/generic/get_spacegroup.py b/mctools/generic/get_spacegroup.py index f2d0a1a..4c707f5 100755 --- a/mctools/generic/get_spacegroup.py +++ b/mctools/generic/get_spacegroup.py @@ -1,17 +1,10 @@ -#! /usr/bin/env python # -*- coding: utf-8 -*- -from __future__ import print_function, absolute_import import argparse import os import ase.io - - -try: - import spglib.spglib as spglib -except ImportError: - import pyspglib.spglib as spglib +import spglib def get_spacegroup(filename=False, format=False): @@ -46,7 +39,3 @@ def main(): help="File format for ASE importer") args = parser.parse_args() get_spacegroup(filename=args.filename, format=args.format) - - -if __name__ == "__main__": - main() diff --git a/mctools/generic/get_volume.py b/mctools/generic/get_volume.py index 7612c6b..13c1f48 100644 --- a/mctools/generic/get_volume.py +++ b/mctools/generic/get_volume.py @@ -1,5 +1,3 @@ -#! /usr/bin/env python - ############################################################################### # Copyright 2017 Adam Jackson ############################################################################### @@ -17,7 +15,6 @@ # along with this program. If not, see . ############################################################################### -from __future__ import print_function import ase.io from argparse import ArgumentParser @@ -28,7 +25,6 @@ def get_volume(filename): def main(): - parser = ArgumentParser(description="Read volume from chemical structure") parser.add_argument("filename", type=str, nargs='?', default="geometry.in", @@ -38,7 +34,3 @@ def main(): volume = get_volume(args.filename) print(volume) - - -if __name__ == '__main__': - main() diff --git a/mctools/generic/vectors.py b/mctools/generic/vectors.py index 9fa5f25..7f93813 100755 --- a/mctools/generic/vectors.py +++ b/mctools/generic/vectors.py @@ -1,4 +1,3 @@ -#! /usr/bin/env python # -*- encoding: utf-8 -*- """Get lattice vector in a, b, c, α, β, γ format from ase-compatible file""" @@ -19,7 +18,6 @@ # along with this program. If not, see . ############################################################################### -from __future__ import absolute_import, print_function, division from optparse import OptionParser import numpy as np import ase.io @@ -83,7 +81,3 @@ def main(): '{5:.{7}f}'.format(a, b, c, alpha, beta, gamma, options.precision_length, options.precision_angle)) - - -if __name__ == '__main__': - main()