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simongravelle committed Nov 24, 2023
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22 changes: 22 additions & 0 deletions docs/inputs/level0/lennard-jones-fluid/video/input.lammps
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# LAMMPS input script by Simon Gravelle
# This input is part of a tutorial from https://lammpstutorials.github.io
# Last tested using the 2Aug2023 stable LAMMPS version
# This file was released under the GNU general public license v3.0

# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀
# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀
# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀
# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀
# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀
# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀
# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀
# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀
# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀
# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿
#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀

units lj
dimension 3
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# LAMMPS input script by Simon Gravelle
# This input is part of a tutorial from https://lammpstutorials.github.io
# Last tested using the 2Aug2023 stable LAMMPS version
# This file was released under the GNU general public license v3.0

# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀
# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀
# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀
# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀
# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀
# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀
# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀
# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀
# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀
# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿
#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀

pair_coeff 1 1 0.066047 3.4
bond_coeff 1 469 1.4
angle_coeff 1 63 120
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# LAMMPS input script by Simon Gravelle
# This input is part of a tutorial from https://lammpstutorials.github.io
# Last tested using the 2Aug2023 stable LAMMPS version
# This file was released under the GNU general public license v3.0

# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀
# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀
# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀
# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀
# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀
# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀
# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀
# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀
# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀
# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿
#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀

pair_coeff 1 1 0.066047 3.4
bond_coeff 1 469 1.4
angle_coeff 1 63 120
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@@ -1,3 +1,26 @@
# LAMMPS input script by Simon Gravelle
# This input is part of a tutorial from https://lammpstutorials.github.io
# Last tested using the 2Aug2023 stable LAMMPS version
# This file was released under the GNU general public license v3.0

# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀
# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀
# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀
# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀
# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀
# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀
# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀
# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀
# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀
# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿
#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀
# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀

pair_coeff * * 0.066047 3.4
bond_coeff 1 469 1.4
angle_coeff 1 63 120
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