python_file.py

# import numpy as np
# import pandas as pd
from ase import Atoms
from ase.visualize import view
from ase import neb

# ase vasp
# ase view

# from ase.io.vasp_parsers.vasp_outcar_parsers import Cell
# TODO: I should code more.


# Python snippets

# Class snippet for autodocstring

# ASE example
a = 4.05  # Gold lattice constant
b = a / 2
# Hover and all F12 options
au_fcc = Atoms("Au", cell=[(0, b, b), (b, 0, b), (b, b, 0)], pbc=True)
baseneb = neb.BaseNEB()


########## Automatic code formatting with black ##########
# Stolen from yapf-GitHub: https://github.com/google/yapf

# x = {  'a':37,'b':42,

# 'c':926}

# y = 'hello ''word'
# z = 'hello '+'world'
# a = 'hello {}'.format('word')
# class foo  (     object  ):
#   def f    (self   ):
#     return       37*-+2
#   def g(self, x,y=42):
#       return y
# def f  (   a ) :
#   return      37+-+a[42-x :  y**3]