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muammar / nist.py
Created February 28, 2019 18:24 — forked from mcs07/nist.py
#!/usr/bin/env python
# -*- coding: utf-8 -*-
"""Download all UV-Vis spectra available from NIST Chemistry Webbook."""
import os
import re
import requests
from bs4 import BeautifulSoup
@muammar
muammar / MPIFileHandler.py
Created June 19, 2019 20:58
logging with mpi4py
# -*- coding: utf-8 -*-
"""
Created on Wed Feb 14 16:17:38 2018
This handler is used to deal with logging with mpi4py in Python3.
@author: cheng
@reference:
https://cvw.cac.cornell.edu/python/logging
https://groups.google.com/forum/#!topic/mpi4py/SaNzc8bdj6U
@muammar
muammar / data.py
Created October 2, 2019 22:42 — forked from ghutchis/data.py
Normal Mode Conformer Generation using cclib and OpenBabel Python
element_symbols = [
"Xx", "H", "He", "Li", "Be", "B", "C", "N", "O", "F",
"Ne", "Na", "Mg", "Al", "Si", "P", "S", "Cl", "Ar", "K",
"Ca", "Sc", "Ti", "V", "Cr", "Mn", "Fe", "Co", "Ni", "Cu",
"Zn", "Ga", "Ge", "As", "Se", "Br", "Kr", "Rb", "Sr", "Y",
"Zr", "Nb", "Mo", "Tc", "Ru", "Rh", "Pd", "Ag", "Cd", "In",
"Sn", "Sb", "Te", "I", "Xe", "Cs", "Ba", "La", "Ce", "Pr",
"Nd", "Pm", "Sm", "Eu", "Gd", "Tb", "Dy", "Ho", "Er", "Tm",
"Yb", "Lu", "Hf", "Ta", "W", "Re", "Os", "Ir", "Pt", "Au",
@muammar
muammar / download-mozilla-portable.sh
Created March 24, 2020 04:21 — forked from rubo77/download-mozilla-portable.sh
a script that downloads a certain Firefox or Thunderbird version and installs it in an extra folder to create an independent and portable App for Linux. source: http://portableapps.com/node/16344
#!/bin/sh
# Configure the following default variables according to your requirements
language="en-US" # e.g. "de" or "en-US"
if [ ! "$1" ]; then
# default if no argument is set:
version="73.0" # chose from http://download.cdn.mozilla.net/pub/mozilla.org/firefox/releases/
application="firefox" # "thunderbird" or "firefox" but file extension, archive extraction, and binary
fi