GPUMD
v3.9.5-343-g67cfeb10
Main
Introduction
Installation
Theoretical background
Interatomic potentials
Tersoff potential (1988)
Tersoff potential (1989)
Tersoff mini-potential
Lennard-Jones potential
Embedded atom method
Force constant potential
Neuroevolution potential
Tutorials
Interface
gpumd executable
nep executable
Backmatter
Credits
Bibliography
Publications
Glossary
Index
GPUMD
source repo
|
gpumd.org
Interatomic potentials
Contents
Tersoff potential (1988)
Potential form
File format
Tersoff potential (1989)
Potential form
File format
Tersoff mini-potential
Potential form
Parameters
File format
Lennard-Jones potential
File format
Embedded atom method
Potential form
File format
Force constant potential
Potential form
File format
Neuroevolution potential
The neural network model
The descriptor
Model dimensions
Optimization procedure
Documentation
v: v3.9.5-343-g67cfeb10
Versions
latest release
development version