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Published 20 hours ago • verified publisher icon shankar1729

Feature request: Forces based convergence

Open ColinBundschu opened this issue 9 months ago • 2 comments

In addition to the standard convergence criteria, would it be possible to specify a threshold for the maximum allowable amount of force on a single atom during ionic relaxation?

ColinBundschu avatar May 14 '24 17:05 ColinBundschu