The Agent Skills Directory

[COMMAND_EXECUTION]: The script scripts/monitor_melting.py executes the system command lsof using subprocess.check_output to identify and manage process IDs associated with simulation log files. This is used to implement the documented auto-termination feature for MD simulations.
[COMMAND_EXECUTION]: The monitoring script scripts/monitor_melting.py interacts with local processes using the os.kill function. It retrieves process IDs from local MD.pid files or via system utilities to terminate simulation engines once equilibrium stability is detected.

mat-melting-point