n2p2 - A neural network potential package
Overview
Topics
Build instructions
Atomic environment descriptors
NNP configuration: keywords
Configuration file format
NNP training procedure
Units
Interfaces
LAMMPS interface
CabanaMD interface
Tools
The libnnp core library
nnp-atomenv
nnp-checkf
nnp-convert
nnp-norm
nnp-predict
nnp-prune
nnp-select
nnp-scaling
nnp-train
Requirements:
Usage:
Sample screen output:
File output:
Miscellaneous
CabanaMD GPU build example
Descriptor analysis/Coarse-graining
API
Neural network
Cutoff functions
Symmetry function types
Symmetry function scaling
Memory layout
About
Authors
How to cite
License
Changelog
n2p2 - A neural network potential package
nnp-train
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nnp-train
Warning
Documentation in progress…
Requirements:
Usage:
nnp-train
Sample screen output:
File output: