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  • Introduction
  • Basic Usage
    • First Training with Fortnet
    • First Predictions with Fortnet
    • Incorporating External Atomic Features
  • Fortformat
    • Fnetdata: Generating a Dataset
    • Fnetout: Extracting the Output
  • Behler-Parrinello-Neural-Network
  • Atom-Centered Symmetry Functions
  • Activation Functions
  • Loss Functions
  • Optimizer
  • Analysis
    • Calculating First Derivatives
  • Interfaces with other codes
    • Socket-Communication
    • Atomic Simulation Environment - ASE
      • File-IO
      • Socket-Communication
  • Licence
  • Bibliography
  • Repository
  • Suggest edit

Basic Usage

Basic Usage#

This part contains recipes for some of the basic tasks often performed with Fortnet. This is the best place to start if you are new to this software package.

  • First Training with Fortnet
  • First Predictions with Fortnet
  • Incorporating External Atomic Features

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Introduction

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First Training with Fortnet

By T. W. van der Heide

© Copyright 2023, T. W. van der Heide.