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User Guide

Introduction
Installation
Running Workflows
Key concepts in atomate2: Job & Flow Makers, InputSet, TaskDocument, and Builder
Using atomate2 with jobflow-remote
Using atomate2 with FireWorks
Atomate 1 vs 2
Codes
- VASP
- Installing Atomate2 from source with OpenMM
Tutorials

Reference

API reference

Developer Guide

Developer Installation
How to develop a new atomate2 workflow
Writing VASP Tests
Writing ABINIT Tests

About

Change log
Contributors
Contributing to atomate2
License

atomate2.qchem.flows¶

Flows for running Q-Chem calculations.

Modules

Define core QChem flows.

atomate2.qchem.flows.core

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