[CP2K-user] [CP2K:19627] ASE, CP2K_Shell, and Convergence

[Logan Ward]

Hello CP2K team,

I'm looking to improve ASE's CP2K support by detecting whether a 
calculation has converged: https://gitlab.com/ase/ase/-/issues/1182

Am I correct in understanding that the "HARSH" mode for the shell does not 
terminate when the calculations fails to converge? If so, are there any 
ways to detect failed convergence w/o looking out the output file?

Thanks,
Logan

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