Correct the stdout for SocketIOCalculators using GenericFileIOCalculator bases
The current implementation does not pass the correct stdout
flags so for FHI-aims all of the output goes to the console instead of aims.out.
This solution is not great, but it is the only one that does not require modifying the profile.run
and template.execute
methods to include a socketio flag to use the more modern methods.
Another solution would be to add an execute_socket
method to template and a run_scoket
method to profile.
The final solution would be to unify the output file name variable across all calculators, such that we can pass the variable to stdout
directly in the SocketIOClient
.
This solves #1270 (closed) in a way that is not using modern python practices, but does not require changes to all profiles/templates.