EVERY_N_STEP keyword for linear response calculations#3692
Merged
juerghutter merged 2 commits intocp2k:masterfrom Sep 24, 2024
Merged
EVERY_N_STEP keyword for linear response calculations#3692juerghutter merged 2 commits intocp2k:masterfrom
juerghutter merged 2 commits intocp2k:masterfrom
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Hi all,
EVERY_N_STEPkeyword allows the users to perform MD with the linear response (LINRES) calculation everyNstep, rather than every MD step.Best,
Rangsiman