Open jamesavery opened 11 hours ago
To prepare for running quantum chemistry calculations with VerOpt on Lumi, all the remote plumbing should be refactored so it can be reused for other optimization tasks than Veros.
To prepare for running quantum chemistry calculations with VerOpt on Lumi, all the remote plumbing should be refactored so it can be reused for other optimization tasks than Veros.