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View Code? Open in Web Editor NEWLAMMPS tutorials for both beginners and advanced users
Home Page: https://lammpstutorials.github.io/
License: GNU General Public License v3.0
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wu2jing undergroundmaker pauliwu aichemist001 fermiq physicshinzui aashutosh-singal juancarlosllaitul sameeeek ppguyz computational-nanomaterials-lab ved-22 lynn9797 cyrilwu6 17393182543 ftry vzordillo louzaizhen hitergeleilammpstutorials.github.io's Issues
Specify origine parameters
Specify clearly in each tutorial from where the parameters are taken from.
Outdated delete_atoms command
Issue raised by Alireza Nazarahari: delete_atoms atom command in tutorial 2 must be updated to :
delete_atoms random fraction 0.5 no all membrane 482793
Verify parameters SPC-F water model
- the density value looks funny, and sometimes the simulation crashes
- timestep too large for flexible water model ?
Implement kscape slab in the nanoelectrolyte tutorial
Suggestion: list lammps package dependencies
I'm walking through your tutorials on an Arch Linux machine and I have to rebuild lammps every time I discover a new package is needed after running the input. It's not that much of a deal but my machine is quite slow. I would suggest to list all packages needed by the full walkthrough and the specific packages needed by each tutorial before the introduction paragraph to let their independence unaffected.
If you don't have such handy list I will be happy to contribute once I get to the end.
As a side note, I love these tutorials, thanks!
Wrong pressure tuto 3
The system is equilibrated at 0 pressure, not 1 atm as said
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