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deepmodeling / dpgen Public

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Han Wang edited this page Jun 3, 2020 · 1 revision

Welcome to the dpgen wiki!

dpgen a deep potential generator.

Wiki pages Pages 42

Guidelines

Overview of auto test
Autotest: to do list

Main components

Task type
Property type
Make, run, and post

Structure relaxation

everything starts here

Get started and input examples
Relaxation: make
Relaxation: run
Relaxation: post

Property

Get started and input examples
Property: make
Property: run
Property: post

Refine and Reproduce

Refine

Universal for all property tests

Get started and input examples
Refine: make
Refine: run
Refine: post

Reproduce

Universal for all property tests except for elastic

Get started and input examples
Reproduce: make
Reproduce: run
Reproduce: post

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