atomate2.qchem

Module for QChem workflows.

Modules

drones	Drones for parsing VASP calculations and related outputs.
files	Functions for manipulating QChem files.
flows	Flows for running Q-Chem calculations.
jobs	Jobs for running QChem calculations.
run	Functions to run QChem in atomate 2.
sets	Module defining QChem input sets used in atomate2.