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User Guide

Introduction
Installation
Running Workflows
Using atomate2 with FireWorks
Codes
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- VASP

Reference

API reference
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- atomate2.amset
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  - atomate2.amset.files
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    - AmsetMaker
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- atomate2.common
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      - get_default_strain_states
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- atomate2.lobster
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- atomate2.settings
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  - Atomate2Settings
- atomate2.utils
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    - datetime_str
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- atomate2.vasp
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      - FiniteDifferenceDocument
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Developer Guide

Developer Installation
Writing VASP Tests

About

Change log
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Contributing to atomate2
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atomate2.vasp.jobs.defect#

Jobs for defect calculations.

Functions

calculate_finite_diff

Run a post-processing VASP job for the finite difference overlap.

calculate_finite_diff

TransmuterMaker

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