[CP2K-user] output forces on atoms during MD
mdsi...@gmail.com
mdsimula... at gmail.com
Thu Feb 11 14:34:53 UTC 2021
Hello,
What is the correct method to output the forces on atoms during an MD run?
It seems to have two different print areas:
- Section path: CP2K_INPUT
<https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT.html> / MOTION
<https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/MOTION.html> / PRINT
<https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/MOTION/PRINT.html> /
FORCES
<https://manual.cp2k.org/cp2k-7_1-branch/CP2K_INPUT/MOTION/PRINT/FORCES.html>
- Section path: CP2K_INPUT
<https://manual.cp2k.org/trunk/CP2K_INPUT.html> / FORCE_EVAL
<https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html> / PRINT
<https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/PRINT.html> / FORCES
<https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/PRINT/FORCES.html>
Thanks for the help,
Joe
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