[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
Hello,
In an MD run, what is the difference between STEPS and MAX_STEPS?
https://manual.cp2k.org/cp2k-6_1-branch/CP2K_INPUT/MOTION/MD.html
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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