zhantongz

zhantongz / g16.py

Created March 12, 2018 04:45

Basic Gaussian 16 log file parser (no job flags etc.; basic HF/DFT/TDDFT jobs only)

	import re
	import sys
	import argparse
	from datetime import datetime
	import numpy as np


	def isfloat(value):
	try:
	float(value)