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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Driving a motor via a Python script #72

Open mooreth opened 2 months ago

mooreth commented 2 months ago

A motor will load a user script at runtime, and execute it during the simulation. The script will take as input the current state of the simulation, and will have to output a representation of Lammps commands. With this, you will be able to customize your motor to do literally whatever you want (within the limit of Lammps commands). In particular, you would be able to check anything from the current state and pause/stop/restart/change direction your motor however you please.