NepTrain

Documentation:

  • install
  • command
    • nep
    • gpumd
    • select
    • vasp
    • dft
    • perturb
    • init
    • train
  • example
NepTrain
  • Commands Guide

Commands Guide

  • nep
    • Input Parameters
    • Output
    • Example
  • gpumd
    • Input Parameters
    • Output
    • Example
  • select
    • Input Parameters
    • Output
    • Example
  • vasp
    • Input Parameters
    • Output
    • Default INCAR
    • Example
  • dft
    • Input Parameters
    • Output
    • Example
  • perturb
    • Input Parameters
    • Output
    • Example
  • init
    • Input Parameters
    • Output
    • File Modification
  • train
    • Input Parameters
    • Output
    • Example
Previous Next

Authors: ChengBing Chen,YuTong Li

© Copyright 2024, NepTrain Team.

Built with Sphinx using a theme provided by Read the Docs.