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Published 20 hours ago • verified publisher icon JelfsMaterialsGroup

Add additional arguments to ETKDG optimizer

Open stevenkbennett opened this issue 3 years ago • 4 comments

Currently ETKDG only takes random_seed as an argument. Would be better if it could also take additional arguments for generating conformers.

stevenkbennett avatar Nov 03 '21 10:11 stevenkbennett