Source code for ase2sprkkr.tools.commands.k_path

#!/usr/bin/env python
"""
GUI for specifiing BSF k-points PATH
"""
from pathlib import Path
import sys
import argparse

if not __package__:
  __package__ = 'ase2sprkkr.tools.commands'
sys.path.append(str(Path(__file__).resolve().parents[3]))

from ...common.tools import main  # NOQA

help='GUI for specifiing BSF k-points PATH'

description="""\n Editor, where you can choose the points, along them is the k-path generated."""


[docs] def parser(parser): parser.add_argument('potential', help='Potential file.', type=str) parser.add_argument('-v', '--verbose', help='Verbose.', action='store_true', default=False)
[docs] def run(args): from ase2sprkkr import Potential from ase2sprkkr.gui.k_path import k_path_gui, k_path_to_string kpath = k_path_gui(Potential.from_file(args.potential).atoms, verbose=args.verbose) if kpath: print(k_path_to_string(kpath)) else: print('No k-path selected') exit(-1)