Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Added on_step_finalize in MD simulation hooks #390

Merged
merged 2 commits into from
Feb 21, 2022
Merged

Added on_step_finalize in MD simulation hooks #390

merged 2 commits into from
Feb 21, 2022

Conversation

mgastegger
Copy link
Collaborator

Added new point on_step_finalize to the SimulationHook class.
It is executed after the on_step_end hook point at the very end of each MD step and is intended to be used for logging, etc.
In this way, e.g. thermostat hooks are guaranteed to have updated all quantities before logging.

@ktschuett ktschuett merged commit cb554ef into dev Feb 21, 2022
@ktschuett ktschuett deleted the mg/md_hooks branch February 21, 2022 14:11
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

2 participants