madreher / radahn

Radahn is an interactive molecular dynamic application allowing users to steer their MD simulations and getting live feedback. The framework is currently build around LAMMPS as a simulation backend and will be extended to Gromacs in the future.
MIT License
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Support for LAMMPS Wall fixes #73

Open mooreth opened 2 months ago

mooreth commented 2 months ago

A large atomistic surface requires many atoms that don't contribute anything interesting to the simulation. These atoms just give a surface for other atoms to sit on. These surface atoms could be replaced with a Wall https://docs.lammps.org/Howto_walls.html

Allow a user to define a Wall in the GUI. If a Wall is being used, represent it as a solid plane during visualization.