QCElemental

0.29.0

Getting Started

Install QCElemental

Quantities

Physical Constants
Periodic Table
Covalent Radii
van der Waals Radii

QCSchema Models

Overview
Molecule
AtomicResult
Common

Developer Documentation

QCElemental API
Changelog

QCElemental

Python Module Index

Python Module Index

q


	q
	`qcelemental`
	`qcelemental.models`
	`qcelemental.molparse`
	`qcelemental.molutil`
	`qcelemental.testing`

© Copyright 2018-2025, The Molecular Sciences Software Institute.

Built with Sphinx using a theme provided by Read the Docs.