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    DP-GEN

    dpdata

    DPDispatcher

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DP-GEN
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Overview

  • Overview
  • Command line interface
  • Code Structure

Workflow

  • Run
  • Init
  • Simplify
  • Auto test
    • Autotest Overview: Autotest for Deep Generator
    • Make run and post
    • Relaxation
    • Property
      • Property get started and input examples
      • Property make
      • Property run
      • Property-post
      • Properties
        • EOS get started and input examples
        • EOS make
        • EOS run
        • EOS post
        • Elastic get started and input examples
        • Elastic make
        • Elastic run
        • Elastic post
        • Vacancy get started and input examples
        • Vacancy make
        • Vacancy run
        • Vacancy post
        • Interstitial get started and input examples
        • Interstitial make
        • Interstitial run
        • Interstitial post
        • Surface get started and input examples
        • Surface make
        • Surface run
        • Surface post
    • Refine
    • Reproduce

Tutorial

  • Tutorials

User Guide

  • User Guide

Contributing Guide

  • Contributing Guide

Contribution

  • DP-GEN API
  • Authors
DP-GEN
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  • Auto test »
  • Property »
  • Properties
  • Edit on GitHub

Properties

  • EOS get started and input examples
    • An example of the input file for EOS by VASP:
  • EOS make
  • EOS run
  • EOS post
  • Elastic get started and input examples
    • An example of the input file for Elastic by deepmd:
  • Elastic make
  • Elastic run
  • Elastic post
    • result.json
    • result.out
  • Vacancy get started and input examples
    • An example of the input file for Vacancy by deepmd:
  • Vacancy make
  • Vacancy run
  • Vacancy post
    • result.json
    • result.out
  • Interstitial get started and input examples
    • An example of the input file for Interstitial by deepmd:
  • Interstitial make
  • Interstitial run
  • Interstitial post
    • result.json
    • result.out
  • Surface get started and input examples
    • An example of the input file for Surface by deepmd:
  • Surface make
  • Surface run
  • Surface post
    • result.json
    • result.out
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