SIMPLE-NN
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Contents:
Install
Tutorials
Examples
Features
Models
SIMPLE-NN
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Welcome to simple_nn’s documentation!
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Welcome to simple_nn’s documentation!
¶
Contents:
Install
Install SIMPLE-NN
Requirements
Install from source
Install LAMMPS implementation
Tutorials
Preparing dataset
Preparing inputs files
Running the code
Outputs
MD simulation with LAMMPS
Examples
Introduction
Generate NNP
Potential test
Generate test dataset
Error check
Molecular dynamics
Parameter tuning
GDF
Features
Introduction
Feature list
Symmetry function
Introduction
Parameters
Inputs
Methods
Models
Introduction
Model list
High-dimensional neural network
Introduction
Parameters
Methods
Indices and tables
¶
Index
Module Index
Search Page
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