detect_g09.py File Reference

This module implements a function that detect columns showing gradients, molecular energies, molecular orbitals, and atomic basis information written in the Gaussian09 output file; also implements a function that shows the detected columns for debugging. More...

Functions
def	detect_g09.detect_columns
	Finds the keywords and their patterns and extracts the descriptors info. More...
def	detect_g09.show_outputs
def	detect_g09.detect

Detailed Description

This module implements a function that detect columns showing gradients, molecular energies, molecular orbitals, and atomic basis information written in the Gaussian09 output file; also implements a function that shows the detected columns for debugging.