[CP2K-user] MD - Difference in STEPS and MAX_STEPS

mdsimula... at gmail.com mdsimula... at gmail.com
Wed Mar 20 13:02:20 UTC 2019


In an MD run, what is the difference between STEPS and MAX_STEPS?


For instance, if I want to run 2000 time steps, do I set STEPS or MAX_STEPS?

Thanks for the help!

- Stacey
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