optimization.py

# -*- coding: utf-8 -*-
import argparse
from parser import Parser
from encut import EncutOptimization
from lattice_constant import LatticeConstatOptimization
from kpoints import KpointsOptimization


def run_encut(args):
    encut_optimization = EncutOptimization(args)
    encut_optimization.run()


def run_lattice_constant(args):
    lattice_constant_optimization = LatticeConstatOptimization(args)
    lattice_constant_optimization.run()


def run_kpoints(args):
    kpoints_optimization = KpointsOptimization(args)
    kpoints_optimization.run()


def optimization(args, options):
    options[args.action](args)


def run():
    parser = Parser(argparse)
    args = parser.parse_args()
    options = {
        'encut': run_encut,
        'lattice_constant': run_lattice_constant,
        'kpoint': run_kpoints
    }
    optimization(args, options)


if __name__ == '__main__':
    run()