,---.    ,---.-./`)   .---.       ____    ______        ____     __  
|    \  /    \ .-.')  | ,_|     .'  __ `.|    _ `''.    \   \   /  / 
|  ,  \/  ,  / `-' \,-./  )    /   '  \  \ _ | ) _  \    \  _. /  '  
|  |\_   /|  |`-'`"`\  '_ '`)  |___|  /  |( ''_'  ) |     _( )_ .'   
|  _( )_/ |  |.---.  > (_)  )     _.-`   | . (_) `. | ___(_ o _)'    
| (_ o _) |  ||   | (  .  .-'  .'   _    |(_    ._) '|   |(_,_)'     
|  (_,_)  |  ||   |  `-'`-'|___|  _( )_  |  (_.\.' / |   `-'  /      
|  |      |  ||   |   |        \ (_ o _) /       .'   \      /       
'--'      '--''---'   `--------`'.(_,_).''-----'`      `-..-'        

About Lammps-MiLaDy

This directory provides:

• ML interatomic potentials developed with MiLaDy package
• Pre-compiled MiLaDy library for Lammps
• Lammps module to perform calculations with MiLaDy ML potentials
• Few examples with Lammps calculations

Contributors of MiLaDy library:

Alexandra M. Goryaeva, Université Paris-Saclay, CEA, Service de Recherches de Métallurgie Physique, 91191, Gif-sur-Yvette, France (alexandra . goryaeva at cea dot fr)

Thomas D. Swinburne, Aix-Marseille Université, CNRS, CINaM UMR 7325, Campus de Luminy, 13288 Marseille, France (swinburne at cinam dot univ - mrs dot fr)

Clovis Lapointe, Université Paris-Saclay, CEA, Service de Recherches de Métallurgie Physique, 91191, Gif-sur-Yvette, France (clovis . lapointe at cea dot fr)

Mihai-Cosmin Marinica, Université Paris-Saclay, CEA, Service de Recherches de Métallurgie Physique, 91191, Gif-sur-Yvette, France(mihai - cosmin . marinica at cea dot fr)

Contributors of Lammps - MiLaDy interface :

Thomas D. Swinburne, Aix-Marseille Université, CNRS, CINaM UMR 7325, Campus de Luminy, 13288 Marseille, France (swinburne at cinam dot univ - mrs dot fr)

Mihai-Cosmin Marinica, Université Paris-Saclay, CEA, Service de Recherches de Métallurgie Physique, 91191, Gif-sur-Yvette, France(mihai - cosmin . marinica at cea dot fr)

Using MiLaDy potentials in Lammps

Installation