[CP2K-user] [CP2K:19969] Similar function of FORCEMATCH in CPMD

JayLIN zlin869 at aucklanduni.ac.nz
Mon Feb 26 02:10:34 UTC 2024


Dear all,

is there the QM/MM force matching procedure in CP2K similar with that in 
CPMD (FORCEMATCH)? I noticed there is a FORCE_MATCHING in 
the OPTIMIZE_INPUT section in CP2K, but I thought it is not identical to 
that in CPMD.

I appreciate your assistance in advance!

Regards,
JL

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