#! /usr/bin/env python3

from vasppy.poscar import Poscar
import argparse


def parse_command_line_arguments():
    # command line arguments
    parser = argparse.ArgumentParser(
        description="Converts a VASP POSCAR file to the .xtl file format"
    )
    parser.add_argument("poscar", help="filename of the VASP POSCAR to be processed")
    parser.add_argument(
        "-s",
        "--symprec",
        type=float,
        help="Symmetry precision for a symmetrised .cif output",
    )
    args = parser.parse_args()
    return args


def main():
    args = parse_command_line_arguments()
    # initialise
    poscar = Poscar()
    # read POSCAR file
    poscar.read_from(args.poscar)
    poscar.output_as_cif(args.symprec)


if __name__ == "__main__":
    main()

6116e202001e659fea4f08f2c5d83f8ba3abdde9
<mask token>


def parse_command_line_arguments():
    parser = argparse.ArgumentParser(description=
        'Converts a VASP POSCAR file to the .xtl file format')
    parser.add_argument('poscar', help=
        'filename of the VASP POSCAR to be processed')
    parser.add_argument('-s', '--symprec', type=float, help=
        'Symmetry precision for a symmetrised .cif output')
    args = parser.parse_args()
    return args


<mask token>

<mask token>


def parse_command_line_arguments():
    parser = argparse.ArgumentParser(description=
        'Converts a VASP POSCAR file to the .xtl file format')
    parser.add_argument('poscar', help=
        'filename of the VASP POSCAR to be processed')
    parser.add_argument('-s', '--symprec', type=float, help=
        'Symmetry precision for a symmetrised .cif output')
    args = parser.parse_args()
    return args


def main():
    args = parse_command_line_arguments()
    poscar = Poscar()
    poscar.read_from(args.poscar)
    poscar.output_as_cif(args.symprec)


<mask token>

<mask token>


def parse_command_line_arguments():
    parser = argparse.ArgumentParser(description=
        'Converts a VASP POSCAR file to the .xtl file format')
    parser.add_argument('poscar', help=
        'filename of the VASP POSCAR to be processed')
    parser.add_argument('-s', '--symprec', type=float, help=
        'Symmetry precision for a symmetrised .cif output')
    args = parser.parse_args()
    return args


def main():
    args = parse_command_line_arguments()
    poscar = Poscar()
    poscar.read_from(args.poscar)
    poscar.output_as_cif(args.symprec)


if __name__ == '__main__':
    main()

from vasppy.poscar import Poscar
import argparse


def parse_command_line_arguments():
    parser = argparse.ArgumentParser(description=
        'Converts a VASP POSCAR file to the .xtl file format')
    parser.add_argument('poscar', help=
        'filename of the VASP POSCAR to be processed')
    parser.add_argument('-s', '--symprec', type=float, help=
        'Symmetry precision for a symmetrised .cif output')
    args = parser.parse_args()
    return args


def main():
    args = parse_command_line_arguments()
    poscar = Poscar()
    poscar.read_from(args.poscar)
    poscar.output_as_cif(args.symprec)


if __name__ == '__main__':
    main()

#! /usr/bin/env python3

from vasppy.poscar import Poscar
import argparse


def parse_command_line_arguments():
    # command line arguments
    parser = argparse.ArgumentParser(
        description="Converts a VASP POSCAR file to the .xtl file format"
    )
    parser.add_argument("poscar", help="filename of the VASP POSCAR to be processed")
    parser.add_argument(
        "-s",
        "--symprec",
        type=float,
        help="Symmetry precision for a symmetrised .cif output",
    )
    args = parser.parse_args()
    return args


def main():
    args = parse_command_line_arguments()
    # initialise
    poscar = Poscar()
    # read POSCAR file
    poscar.read_from(args.poscar)
    poscar.output_as_cif(args.symprec)


if __name__ == "__main__":
    main()
