[CP2K-user] [CP2K:20120] about PYCP2K Python Package

[xuan wang]

Dear all,
I'm trying to define the newly developed keyword IGNORE_CONVERGENCE_FAILURE 
via PYCP2K but failed. And also, some other keywords cannot be defined via 
PYCP2K, such as &PAIR_POTENTIAL for DFT-Dispersion. I am wondering if the 
PYCP2K package can be further updated. Or if, some other powerful packages 
for .inp generation can be recommended?

Any help would really appreciated.

Thank you.

Best,
Garrett.

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