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Cannot run without input

Open Gabrielgerez opened this issue 2 years ago • 6 comments

I would expect that MRChem could be run without input so that a dummy empty calculation can be run. This would be useful for debugging or test runs where the input file is practically unneeded. As it is now if one tries to run a calculation without an input file the code crashes.

Gabrielgerez avatar May 02 '22 09:05 Gabrielgerez