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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

Developer Guide

About

atomate2.aims.flows¶

Workflows for FHI-aims.

Modules

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