Closed shoubhikraj closed 1 year ago
In the RFO step, the inverse hessian is updated, but the augmented Hessian is built up from hessian, so the hessian should be updated instead
https://github.com/duartegroup/autodE/blob/161818ce505b443c10ce8ecfde78c863007aedd6/autode/opt/optimisers/rfo.py#L33-L48
In the RFO step, the inverse hessian is updated, but the augmented Hessian is built up from hessian, so the hessian should be updated instead
https://github.com/duartegroup/autodE/blob/161818ce505b443c10ce8ecfde78c863007aedd6/autode/opt/optimisers/rfo.py#L33-L48