Simplify the Simulation to make the integration easier

wiederm / endstate_correction

Endstate corrections from MM to QML potential

https://wiederm.github.io/endstate_correction/

MIT License

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Simplify the Simulation to make the integration easier #76

Closed xiki-tempula closed 1 year ago

xiki-tempula commented 1 year ago

Description

Change the directory to save trajectory from work_dir/lambda_X/name.h5 to work_dir/name.h5 as one could control the work_dir to be whatever place that one want this to be.

Todos

Notable points that this PR has either accomplished or will accomplish.

[ ] TODO 1

Questions

[ ] Question1

Status

[x] Ready to go