yqshao

Intro

ase-gui is the most handy model editor I've used to setup my VASP calculations.

It supports VASP POSCAR/CONTCAR files perfectly and a variety of other formats. The editting features (moving/rotating) are handy for adjusting surface adsorption structues.

Yet, it's a little tricky to get a nice ase-gui on windows mechaines.

• Old versions require pyGTK which is hardly available for windows, I remember attempting with miniconda and official build http://www.pygtk.org/downloads.html, but the process is tedious.
• Newer versions use tk, however the interface is ugly and some functions are not available (Ctrl+R for rotation, and zooming is buggy right now).
• VASP configuration files don't have extentions, meaning it's hard to associate them using the windows options

amitsaha

'''
Basic tail command implementation
Usage:

tail.py filename numlines

'''

import sys
import linecache

rmcgibbo

from __future__ import division
import numpy  as np
import IPython as ip
import matplotlib.pyplot as pp
import warnings
from collections import namedtuple
import scipy.optimize

#symbolic algebra
import theano