GPUMD Logo

Main

  • Introduction
  • Installation
  • Theoretical background
    • Forces and stresses
    • Ensembles
    • Heat current
    • Heat transport
  • Interatomic potentials

Interface

  • gpumd executable
  • nep executable

Backmatter

  • Credits
  • Bibliography
  • Publications
  • Glossary
  • Index
GPUMD
source repo | gpumd.org

Theoretical background

Contents

  • Forces and stresses
    • Interatomic forces
    • Stress tensor
  • Ensembles
    • NVE ensemble
    • NVT ensemble
    • NPT ensemble
  • Heat current
  • Heat transport
    • EMD method
    • NEMD method
    • HNEMD method
    • Spectral heat current
    • Modal analysis methods
    • HNEMDEC method
Previous Next

© Copyright 2023.

Built with Sphinx using a theme provided by Read the Docs.
Documentation v5.5
Versions
latest release
development version