From e82ca0eb2ce7d956d7b67fddc29861a9445dfd2d Mon Sep 17 00:00:00 2001 From: Simon Gravelle Date: Fri, 24 Nov 2023 08:07:04 +0100 Subject: [PATCH] added logo to inputs --- .../avatar/input.lammps | 29 ++++++++++++++----- .../breakable-bonds/input.lammps | 24 ++++++++++++++- .../exercises/membrane/input.lammps | 23 ++++++++++++++- .../breakable-bonds/input.lammps | 24 ++++++++++++++- .../unbreakable-bonds/input.lammps | 24 +++++++++++++-- .../unbreakable-bonds/input.lammps | 24 +++++++++++++-- .../Avatar/input.lammps | 25 ++++++++++++++-- .../Equilibration/input.lammps | 25 ++++++++++++++-- .../Image/input.lammps | 25 ++++++++++++++-- .../Minimization/input.lammps | 25 ++++++++++++++-- .../Shearing/input.lammps | 25 ++++++++++++++-- .../SystemCreation/input.lammps | 25 ++++++++++++++-- .../radial-distribution-function/input.lammps | 26 ++++++++++++++--- .../exercises/salt/input.lammps | 26 ++++++++++++++--- .../polymer-in-water/mergePEGH2O/input.lammps | 26 ++++++++++++++--- .../polymer-in-water/pullonPEG/input.lammps | 27 +++++++++++++---- .../polymer-in-water/pureH2O/input.lammps | 27 +++++++++++++---- .../pureH2O/snapshot/input.lammps | 27 +++++++++++++---- .../solutions/mixture/input.lammps | 25 ++++++++++++++-- .../video/mergePEGH2O/input.lammps | 26 ++++++++++++++--- .../video/pureH2O/input.lammps | 27 +++++++++++++---- .../Avatar/input.lammps | 25 ++++++++++++++-- .../BiasedSampling/input.lammps | 25 ++++++++++++++-- .../FreeSampling/input.lammps | 25 ++++++++++++++-- .../AddOxygen/input.lammps | 23 ++++++++++++++- .../CreateSilica/input.lammps | 23 ++++++++++++++- .../Deform/input.lammps | 23 ++++++++++++++- .../RelaxSilica/input.lammps | 23 ++++++++++++++- .../illustration-ion-hydronium/input.lammps | 23 ++++++++++++++- .../video1/input.lammps | 23 ++++++++++++++- .../AddingWater/input.lammps | 25 ++++++++++++++-- .../Cracking/input.lammps | 25 ++++++++++++++-- .../SilicaBlock/input.lammps | 25 ++++++++++++++-- .../logo/convection/convection.lammps | 25 ++++++++++++++-- .../logo/diffusion/diffusion.lammps | 25 ++++++++++++++-- 35 files changed, 772 insertions(+), 101 deletions(-) diff --git a/docs/inputs/level1/breaking-a-carbon-nanotube/avatar/input.lammps b/docs/inputs/level1/breaking-a-carbon-nanotube/avatar/input.lammps index 8034c5a0..9c54707b 100644 --- a/docs/inputs/level1/breaking-a-carbon-nanotube/avatar/input.lammps +++ b/docs/inputs/level1/breaking-a-carbon-nanotube/avatar/input.lammps @@ -1,8 +1,25 @@ -# LAMMPS input script -# author : Simon Gravelle -# lammpstutorials.github.io - -# Initialisation +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ variable T equal 300 @@ -11,7 +28,6 @@ atom_style full boundary p p p pair_style airebo 2.5 1 1 -# System definition read_data ../cnt.data pair_coeff * * ../CH.airebo C @@ -25,6 +41,5 @@ fix myrct all recenter INIT INIT NULL thermo 100 -# Run timestep 0.0005 run 5000 diff --git a/docs/inputs/level1/breaking-a-carbon-nanotube/breakable-bonds/input.lammps b/docs/inputs/level1/breaking-a-carbon-nanotube/breakable-bonds/input.lammps index 8936faa5..3ad5daf9 100644 --- a/docs/inputs/level1/breaking-a-carbon-nanotube/breakable-bonds/input.lammps +++ b/docs/inputs/level1/breaking-a-carbon-nanotube/breakable-bonds/input.lammps @@ -1,4 +1,26 @@ -# Initialisation +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ + variable T equal 300 units metal diff --git a/docs/inputs/level1/breaking-a-carbon-nanotube/exercises/membrane/input.lammps b/docs/inputs/level1/breaking-a-carbon-nanotube/exercises/membrane/input.lammps index bb96b8e6..44b429bc 100644 --- a/docs/inputs/level1/breaking-a-carbon-nanotube/exercises/membrane/input.lammps +++ b/docs/inputs/level1/breaking-a-carbon-nanotube/exercises/membrane/input.lammps @@ -1,4 +1,25 @@ -# Initialisation +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ variable T equal 300 diff --git a/docs/inputs/level1/breaking-a-carbon-nanotube/exercises/stress-strain/breakable-bonds/input.lammps b/docs/inputs/level1/breaking-a-carbon-nanotube/exercises/stress-strain/breakable-bonds/input.lammps index 1222fa29..bc05cd5f 100644 --- a/docs/inputs/level1/breaking-a-carbon-nanotube/exercises/stress-strain/breakable-bonds/input.lammps +++ b/docs/inputs/level1/breaking-a-carbon-nanotube/exercises/stress-strain/breakable-bonds/input.lammps @@ -1,4 +1,26 @@ -# Initialisation +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ + variable T equal 300 units metal diff --git a/docs/inputs/level1/breaking-a-carbon-nanotube/exercises/stress-strain/unbreakable-bonds/input.lammps b/docs/inputs/level1/breaking-a-carbon-nanotube/exercises/stress-strain/unbreakable-bonds/input.lammps index 34e68091..85df50c1 100644 --- a/docs/inputs/level1/breaking-a-carbon-nanotube/exercises/stress-strain/unbreakable-bonds/input.lammps +++ b/docs/inputs/level1/breaking-a-carbon-nanotube/exercises/stress-strain/unbreakable-bonds/input.lammps @@ -1,5 +1,25 @@ - -# Initialisation +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ variable T equal 300 diff --git a/docs/inputs/level1/breaking-a-carbon-nanotube/unbreakable-bonds/input.lammps b/docs/inputs/level1/breaking-a-carbon-nanotube/unbreakable-bonds/input.lammps index e5ae1e7c..687aff55 100644 --- a/docs/inputs/level1/breaking-a-carbon-nanotube/unbreakable-bonds/input.lammps +++ b/docs/inputs/level1/breaking-a-carbon-nanotube/unbreakable-bonds/input.lammps @@ -1,5 +1,25 @@ - -# Initialisation +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ variable T equal 300 diff --git a/docs/inputs/level2/nanosheared-electrolyte/Avatar/input.lammps b/docs/inputs/level2/nanosheared-electrolyte/Avatar/input.lammps index 6b440c0e..9b92723c 100644 --- a/docs/inputs/level2/nanosheared-electrolyte/Avatar/input.lammps +++ b/docs/inputs/level2/nanosheared-electrolyte/Avatar/input.lammps @@ -1,6 +1,25 @@ -# LAMMPS input script -# author : Simon Gravelle -# https://lammpstutorials.github.io +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ # Initialisation boundary p p p diff --git a/docs/inputs/level2/nanosheared-electrolyte/Equilibration/input.lammps b/docs/inputs/level2/nanosheared-electrolyte/Equilibration/input.lammps index 0579d5e7..c3040f44 100644 --- a/docs/inputs/level2/nanosheared-electrolyte/Equilibration/input.lammps +++ b/docs/inputs/level2/nanosheared-electrolyte/Equilibration/input.lammps @@ -1,6 +1,25 @@ -# LAMMPS input script -# author : Simon Gravelle -# https://lammpstutorials.github.io +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ # Initialisation boundary p p p diff --git a/docs/inputs/level2/nanosheared-electrolyte/Image/input.lammps b/docs/inputs/level2/nanosheared-electrolyte/Image/input.lammps index 2edf1cfc..dc60a56f 100644 --- a/docs/inputs/level2/nanosheared-electrolyte/Image/input.lammps +++ b/docs/inputs/level2/nanosheared-electrolyte/Image/input.lammps @@ -1,6 +1,25 @@ -# LAMMPS input script -# author : Simon Gravelle -# https://lammpstutorials.github.io +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ # Initialisation boundary p p p diff --git a/docs/inputs/level2/nanosheared-electrolyte/Minimization/input.lammps b/docs/inputs/level2/nanosheared-electrolyte/Minimization/input.lammps index 258d338c..2d35f72b 100644 --- a/docs/inputs/level2/nanosheared-electrolyte/Minimization/input.lammps +++ b/docs/inputs/level2/nanosheared-electrolyte/Minimization/input.lammps @@ -1,6 +1,25 @@ -# LAMMPS input script -# author : Simon Gravelle -# https://lammpstutorials.github.io +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ # Initialisation boundary p p p diff --git a/docs/inputs/level2/nanosheared-electrolyte/Shearing/input.lammps b/docs/inputs/level2/nanosheared-electrolyte/Shearing/input.lammps index 25575dc0..44be4ad2 100644 --- a/docs/inputs/level2/nanosheared-electrolyte/Shearing/input.lammps +++ b/docs/inputs/level2/nanosheared-electrolyte/Shearing/input.lammps @@ -1,6 +1,25 @@ -# LAMMPS input script -# author : Simon Gravelle -# https://lammpstutorials.github.io +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ # Initialisation boundary p p p diff --git a/docs/inputs/level2/nanosheared-electrolyte/SystemCreation/input.lammps b/docs/inputs/level2/nanosheared-electrolyte/SystemCreation/input.lammps index ecbef5f4..c0953a04 100644 --- a/docs/inputs/level2/nanosheared-electrolyte/SystemCreation/input.lammps +++ b/docs/inputs/level2/nanosheared-electrolyte/SystemCreation/input.lammps @@ -1,6 +1,25 @@ -# LAMMPS input script -# author : Simon Gravelle -# https://lammpstutorials.github.io +# 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 real atom_style full diff --git a/docs/inputs/level2/polymer-in-water/exercises/radial-distribution-function/input.lammps b/docs/inputs/level2/polymer-in-water/exercises/radial-distribution-function/input.lammps index ec39ae59..b7d871d1 100644 --- a/docs/inputs/level2/polymer-in-water/exercises/radial-distribution-function/input.lammps +++ b/docs/inputs/level2/polymer-in-water/exercises/radial-distribution-function/input.lammps @@ -1,7 +1,25 @@ -# Written by Simon Gravelle -# My personal page : https://simongravelle.github.io/ -# My Github account: https://github.com/simongravelle/ -# LAMMPS tutorials for beginners: https://lammpstutorials.github.io/ +# 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 real atom_style full diff --git a/docs/inputs/level2/polymer-in-water/exercises/salt/input.lammps b/docs/inputs/level2/polymer-in-water/exercises/salt/input.lammps index 4a3cf523..90ed4e6b 100644 --- a/docs/inputs/level2/polymer-in-water/exercises/salt/input.lammps +++ b/docs/inputs/level2/polymer-in-water/exercises/salt/input.lammps @@ -1,7 +1,25 @@ -# Written by Simon Gravelle -# My personal page : https://simongravelle.github.io/ -# My Github account: https://github.com/simongravelle/ -# LAMMPS tutorials for beginners: https://lammpstutorials.github.io/ +# 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 real atom_style full diff --git a/docs/inputs/level2/polymer-in-water/mergePEGH2O/input.lammps b/docs/inputs/level2/polymer-in-water/mergePEGH2O/input.lammps index 8d0a3e3d..42494b17 100644 --- a/docs/inputs/level2/polymer-in-water/mergePEGH2O/input.lammps +++ b/docs/inputs/level2/polymer-in-water/mergePEGH2O/input.lammps @@ -1,7 +1,25 @@ -# Written by Simon Gravelle -# My personal page : https://simongravelle.github.io/ -# My Github account: https://github.com/simongravelle/ -# LAMMPS tutorials for beginners: https://lammpstutorials.github.io/ +# 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 real atom_style full diff --git a/docs/inputs/level2/polymer-in-water/pullonPEG/input.lammps b/docs/inputs/level2/polymer-in-water/pullonPEG/input.lammps index 90138300..ab6242a1 100644 --- a/docs/inputs/level2/polymer-in-water/pullonPEG/input.lammps +++ b/docs/inputs/level2/polymer-in-water/pullonPEG/input.lammps @@ -1,8 +1,25 @@ -# pure bulk water system -# Written by Simon Gravelle -# My personal page : https://simongravelle.github.io/ -# My Github account: https://github.com/simongravelle/ -# LAMMPS tutorials for beginners: https://lammpstutorials.github.io/ +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ variable f0 equal 5 # kcal/mol/A # 1 kcal/mol/A = 67.2 pN diff --git a/docs/inputs/level2/polymer-in-water/pureH2O/input.lammps b/docs/inputs/level2/polymer-in-water/pureH2O/input.lammps index 26749cf3..e2297094 100644 --- a/docs/inputs/level2/polymer-in-water/pureH2O/input.lammps +++ b/docs/inputs/level2/polymer-in-water/pureH2O/input.lammps @@ -1,8 +1,25 @@ -# pure bulk water system -# Written by Simon Gravelle -# My personal page : https://simongravelle.github.io/ -# My Github account: https://github.com/simongravelle/ -# LAMMPS tutorials for beginners: https://lammpstutorials.github.io/ +# 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 real atom_style full diff --git a/docs/inputs/level2/polymer-in-water/pureH2O/snapshot/input.lammps b/docs/inputs/level2/polymer-in-water/pureH2O/snapshot/input.lammps index 313b8014..0e98b676 100644 --- a/docs/inputs/level2/polymer-in-water/pureH2O/snapshot/input.lammps +++ b/docs/inputs/level2/polymer-in-water/pureH2O/snapshot/input.lammps @@ -1,8 +1,25 @@ -# pure bulk water system -# Written by Simon Gravelle -# My personal page : https://simongravelle.github.io/ -# My Github account: https://github.com/simongravelle/ -# LAMMPS tutorials for beginners: https://lammpstutorials.github.io/ +# 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 real atom_style full diff --git a/docs/inputs/level2/polymer-in-water/solutions/mixture/input.lammps b/docs/inputs/level2/polymer-in-water/solutions/mixture/input.lammps index 0051502d..7a0feca8 100644 --- a/docs/inputs/level2/polymer-in-water/solutions/mixture/input.lammps +++ b/docs/inputs/level2/polymer-in-water/solutions/mixture/input.lammps @@ -1,6 +1,25 @@ -# LAMMPS input script -# Author: Simon Gravelle (https://simongravelle.github.io) -# LAMMPS tutorials : https://lammpstutorials.github.io +# 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 real atom_style full diff --git a/docs/inputs/level2/polymer-in-water/video/mergePEGH2O/input.lammps b/docs/inputs/level2/polymer-in-water/video/mergePEGH2O/input.lammps index c950d22e..23b50c1b 100644 --- a/docs/inputs/level2/polymer-in-water/video/mergePEGH2O/input.lammps +++ b/docs/inputs/level2/polymer-in-water/video/mergePEGH2O/input.lammps @@ -1,7 +1,25 @@ -# Written by Simon Gravelle -# My personal page : https://simongravelle.github.io/ -# My Github account: https://github.com/simongravelle/ -# LAMMPS tutorials for beginners: https://lammpstutorials.github.io/ +# 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 real atom_style full diff --git a/docs/inputs/level2/polymer-in-water/video/pureH2O/input.lammps b/docs/inputs/level2/polymer-in-water/video/pureH2O/input.lammps index 45441996..400c088a 100644 --- a/docs/inputs/level2/polymer-in-water/video/pureH2O/input.lammps +++ b/docs/inputs/level2/polymer-in-water/video/pureH2O/input.lammps @@ -1,8 +1,25 @@ -# pure bulk water system -# Written by Simon Gravelle -# My personal page : https://simongravelle.github.io/ -# My Github account: https://github.com/simongravelle/ -# LAMMPS tutorials for beginners: https://lammpstutorials.github.io/ +# 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 real atom_style full diff --git a/docs/inputs/level3/free-energy-calculation/Avatar/input.lammps b/docs/inputs/level3/free-energy-calculation/Avatar/input.lammps index 422e2ce5..c37fce8c 100644 --- a/docs/inputs/level3/free-energy-calculation/Avatar/input.lammps +++ b/docs/inputs/level3/free-energy-calculation/Avatar/input.lammps @@ -1,6 +1,25 @@ -# LAMMPS input script -# author : Simon Gravelle -# lammpstutorials.github.io +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ variable sigma equal 3.405 # Angstrom variable epsilon equal 0.05 # Kcal/mol diff --git a/docs/inputs/level3/free-energy-calculation/BiasedSampling/input.lammps b/docs/inputs/level3/free-energy-calculation/BiasedSampling/input.lammps index b4c690b8..c0bac21f 100644 --- a/docs/inputs/level3/free-energy-calculation/BiasedSampling/input.lammps +++ b/docs/inputs/level3/free-energy-calculation/BiasedSampling/input.lammps @@ -1,6 +1,25 @@ -# LAMMPS input script -# author : Simon Gravelle -# lammpstutorials.github.io +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ # define a bunch of variables variable sigma equal 3.405 # Angstrom diff --git a/docs/inputs/level3/free-energy-calculation/FreeSampling/input.lammps b/docs/inputs/level3/free-energy-calculation/FreeSampling/input.lammps index baf246c9..a196c031 100644 --- a/docs/inputs/level3/free-energy-calculation/FreeSampling/input.lammps +++ b/docs/inputs/level3/free-energy-calculation/FreeSampling/input.lammps @@ -1,6 +1,25 @@ -# LAMMPS input script -# author : Simon Gravelle -# lammpstutorials.github.io +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ # define some variables variable sigma equal 3.405 # Angstrom diff --git a/docs/inputs/level3/reactive-silicon-dioxide/AddOxygen/input.lammps b/docs/inputs/level3/reactive-silicon-dioxide/AddOxygen/input.lammps index 61887651..9bf70b2d 100644 --- a/docs/inputs/level3/reactive-silicon-dioxide/AddOxygen/input.lammps +++ b/docs/inputs/level3/reactive-silicon-dioxide/AddOxygen/input.lammps @@ -1,4 +1,25 @@ -# Adding O2 molecule to SiO amorphous silica with reaxff potential +# 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 real atom_style full diff --git a/docs/inputs/level3/reactive-silicon-dioxide/CreateSilica/input.lammps b/docs/inputs/level3/reactive-silicon-dioxide/CreateSilica/input.lammps index 391aa892..af17ea1c 100755 --- a/docs/inputs/level3/reactive-silicon-dioxide/CreateSilica/input.lammps +++ b/docs/inputs/level3/reactive-silicon-dioxide/CreateSilica/input.lammps @@ -1,4 +1,25 @@ -# LAMMPS input file +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ variable speed equal 1.0 # K/ps variable Pi equal 100 # bars diff --git a/docs/inputs/level3/reactive-silicon-dioxide/Deform/input.lammps b/docs/inputs/level3/reactive-silicon-dioxide/Deform/input.lammps index f684b49d..25b3f955 100644 --- a/docs/inputs/level3/reactive-silicon-dioxide/Deform/input.lammps +++ b/docs/inputs/level3/reactive-silicon-dioxide/Deform/input.lammps @@ -1,4 +1,25 @@ -# SiO amorphous silica deformed with reaxff potential +# 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 real atom_style full diff --git a/docs/inputs/level3/reactive-silicon-dioxide/RelaxSilica/input.lammps b/docs/inputs/level3/reactive-silicon-dioxide/RelaxSilica/input.lammps index ab2214ca..31044209 100644 --- a/docs/inputs/level3/reactive-silicon-dioxide/RelaxSilica/input.lammps +++ b/docs/inputs/level3/reactive-silicon-dioxide/RelaxSilica/input.lammps @@ -1,4 +1,25 @@ -# SiO amorphous silica relaxed with reaxff potential +# 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 real atom_style full diff --git a/docs/inputs/level3/reactive-silicon-dioxide/illustration-ion-hydronium/input.lammps b/docs/inputs/level3/reactive-silicon-dioxide/illustration-ion-hydronium/input.lammps index 7d791b98..4f231b94 100644 --- a/docs/inputs/level3/reactive-silicon-dioxide/illustration-ion-hydronium/input.lammps +++ b/docs/inputs/level3/reactive-silicon-dioxide/illustration-ion-hydronium/input.lammps @@ -1,4 +1,25 @@ -# Two single water molecule in vacuum + one extra hydrogen atom +# 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 real atom_style full diff --git a/docs/inputs/level3/reactive-silicon-dioxide/video1/input.lammps b/docs/inputs/level3/reactive-silicon-dioxide/video1/input.lammps index c0b408e7..e617f7d7 100644 --- a/docs/inputs/level3/reactive-silicon-dioxide/video1/input.lammps +++ b/docs/inputs/level3/reactive-silicon-dioxide/video1/input.lammps @@ -1,4 +1,25 @@ -# SiO amorphous silica relaxed with reaxff potential +# 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 real atom_style full diff --git a/docs/inputs/level3/water-adsorption-in-silica/AddingWater/input.lammps b/docs/inputs/level3/water-adsorption-in-silica/AddingWater/input.lammps index babdca14..a58de069 100644 --- a/docs/inputs/level3/water-adsorption-in-silica/AddingWater/input.lammps +++ b/docs/inputs/level3/water-adsorption-in-silica/AddingWater/input.lammps @@ -1,6 +1,25 @@ -# LAMMPS input script -# author : Simon Gravelle -# lammpstutorials.github.io +# 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 metal boundary p p p diff --git a/docs/inputs/level3/water-adsorption-in-silica/Cracking/input.lammps b/docs/inputs/level3/water-adsorption-in-silica/Cracking/input.lammps index 828747fd..97877966 100644 --- a/docs/inputs/level3/water-adsorption-in-silica/Cracking/input.lammps +++ b/docs/inputs/level3/water-adsorption-in-silica/Cracking/input.lammps @@ -1,6 +1,25 @@ -# LAMMPS input script -# author : Simon Gravelle -# lammpstutorials.github.io +# 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 metal boundary p p p diff --git a/docs/inputs/level3/water-adsorption-in-silica/SilicaBlock/input.lammps b/docs/inputs/level3/water-adsorption-in-silica/SilicaBlock/input.lammps index d93ee639..7e780830 100644 --- a/docs/inputs/level3/water-adsorption-in-silica/SilicaBlock/input.lammps +++ b/docs/inputs/level3/water-adsorption-in-silica/SilicaBlock/input.lammps @@ -1,6 +1,25 @@ -# LAMMPS input script -# author : Simon Gravelle -# lammpstutorials.github.io +# 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 metal boundary p p p diff --git a/docs/inputs/miscellaneous/logo/convection/convection.lammps b/docs/inputs/miscellaneous/logo/convection/convection.lammps index 79647c00..18b57dcf 100644 --- a/docs/inputs/miscellaneous/logo/convection/convection.lammps +++ b/docs/inputs/miscellaneous/logo/convection/convection.lammps @@ -1,6 +1,25 @@ -# LAMMPS input script -# author : Simon Gravelle -# lammpstutorials.github.io +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ # ------------- Initialization units lj diff --git a/docs/inputs/miscellaneous/logo/diffusion/diffusion.lammps b/docs/inputs/miscellaneous/logo/diffusion/diffusion.lammps index b890e081..98f22d5b 100644 --- a/docs/inputs/miscellaneous/logo/diffusion/diffusion.lammps +++ b/docs/inputs/miscellaneous/logo/diffusion/diffusion.lammps @@ -1,6 +1,25 @@ -# LAMMPS input script -# author : Simon Gravelle -# lammpstutorials.github.io +# 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 + +# ⣿⣿⡆⠀⠀⠀⠀⠀⠀⣾⣿⣿⣆⠀⠀⠀⣿⣿⣿⣆⠀⠀⣰⣿⣿⣷⠀⢸⣿⣿⣷⡀⠀⢀⣾⣿⣿⠀⠀⣿⣿⣿⣿⣿⣷⣆⠀⢀⣶⣿⠿⠿⣿⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣀⣠⣤⣶⣿⣿⣿⣦⡄⠀⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⠀⣼⣿⡏⣿⣿⡄⠀⠀⣿⣿⡿⣿⡆⢰⣿⢿⣿⣿⠀⢸⣿⣿⢿⣧⠀⣾⡿⣿⣿⠀⠀⣿⣿⡇⠀⢈⣿⣿⠀⢸⣿⣧⣄⣀⡀⠀⠀⠀⠀⠀⠀⠀⢀⣤⣾⣿⣿⠏⣿⣿⣿⣿⣿⣿⣿⡄⠀⠀⠀⠀⠀⠀ +# ⣿⣿⡇⠀⠀⠀⠀⢰⣿⣿⣀⣸⣿⣷⡀⠀⣿⣿⡇⢻⣿⣿⡏⢸⣿⣿⠀⢸⣿⣿⠘⣿⣿⡿⠁⣿⣿⠀⠀⣿⣿⡿⠿⠿⠿⠋⠀⠀⠉⠛⠻⠿⣿⣷⠀⠀⠀⠀⠀⢠⣿⣿⣿⣿⣿⡄⠻⣿⣿⣿⣿⡿⠟⣃⠀⠀⠀⠀⠀⠀ +# ⣿⣿⣧⣤⣤⣤⢠⣿⣿⠛⠛⠛⢻⣿⣧⠀⣿⣿⡇⠀⠛⠛⠀⢸⣿⣿⠀⢸⣿⣿⠀⠘⠛⠃⠀⣿⣿⠀⠀⣿⣿⡇⠀⠀⠀⠀⠀⢰⣶⣤⣤⣤⣿⡿⠀⠀⠀⠀⠀⣻⣿⣿⣿⣿⣿⣿⣄⡀⠉⠉⠁⠀⢠⣿⡄⠀⠀⠀⠀⠀ +# ⠉⠉⠉⠉⠉⠉⠈⠉⠁⠀⠀⠀⠀⠉⠉⠀⠉⠉⠁⠀⠀⠀⠀⠈⠉⠉⠀⠈⠉⠉⠀⠀⠀⠀⠀⠉⠉⠀⠀⠉⠉⠁⠀⠀⠀⠀⠀⠀⠉⠉⠉⠉⠉⠀⠀⠀⠀⠀⠀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⣶⣶⣾⣿⣿⡇⠀⠀⠀⠀⠀ +# ⢀⣤⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣤⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣶⠀⠀⠀⠀⠀⠀⠀⠀⢰⡆⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠘⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡃⠀⠀⠀⠀⠀ +# ⣼⣿⣴⡦⠀⣴⠀⠀⠀⣴⡄⢤⣿⣧⣶⠄⢀⣤⡶⣶⣄⠀⠀⣴⣤⣴⣦⢠⣦⠀⠀⣤⠶⢶⣤⡀⠀⢸⡇⠀⢠⣴⠶⢦⡄⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣶⣄⠀⠀⠀ +# ⢸⣿⠀⠀⠀⣿⠀⠀⠀⣿⡇⠀⣿⡆⠀⠀⣿⠇⠀⠀⢻⡇⠀⣿⡇⠀⠀⢸⣿⠀⠀⣠⣤⣤⣽⡇⠀⢸⡇⠀⢻⣧⣄⣀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣀⣀⣀⣾⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣧⡀⠀ +# ⠸⣿⠀⠀⠀⣿⡄⠀⢀⣿⡇⠀⣿⡇⠀⠀⢿⣇⠀⢀⣼⡇⠀⣿⡇⠀⠀⢸⣿⠀⢸⣏⠀⠀⣼⡇⠀⢸⡇⠀⡀⠀⠉⢹⣷⠀⠀⠀⠀⠀⠀⠀⣀⣴⣾⣿⣿⡟⢸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⠀ +# ⠀⠙⠛⠛⠀⠈⠛⠛⠋⠛⠁⠀⠈⠛⠛⠃⠈⠛⠛⠛⠋⠀⠀⠛⠃⠀⠀⠘⠛⠀⠈⠛⠛⠛⠙⠃⠀⠘⠃⠀⠙⠛⠛⠛⠁⠀⠀⠀⠀⠀⢠⣾⣿⣿⣿⣿⣿⠀⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⣠⣴⣿⣿⣿⣿⣿⣿⣿⡀⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿ +#⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢰⣿⣿⣿⣿⣿⣿⣿⣿⣿⡇⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡏ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠸⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⡘⣿⣿⣿⣿⣿⡏⣼⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⠁ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠨⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡈⠻⣿⣿⣿⣇⠸⣿⣿⣿⣿⣿⣿⡿⢻⣿⣿⠿⠋⠁⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣷⡀⠈⠻⢿⣿⣦⣈⠙⠛⠛⠛⣁⣴⡿⠛⠁⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠻⣿⣿⣿⣿⣿⣿⣿⣿⣿⣿⣦⡀⠀⠈⠉⠛⠛⠓⠚⠋⠉⠁⠀⠀⠀⠀⠀⠀⠀ +# ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠙⠻⠿⣿⣿⣿⣿⡿⠟⠋⠀ # ------------- Initialization units lj