/QChem-utils

Utility Methods for Quantum Chemistry Class

Primary LanguagePython

QChem-utils

This repository is intended to include utility-functions for quantum chemistry courses.

Installation

pip install git+https://github.com/QC-Edu/QChem-utils.git

Usage

from qctools.hydrogen import hydrogenic_wavefunction

hydrogenic_wavefunction(1, 0, 0, 1, 0, 0, 1)