Jonas Greiner

Orbital response for PM localized orbitals does not appear to agree with finite differences

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Hi everyone, I am trying to compare the orbital response with respect to an external electric field to finite differences. Unfortunately, I am not able to get these to agree:...

WIP: Interface to OpenTrustRegion library

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## Description This PR interfaces to the OpenTrustRegion library for second-order trust region orbital optimization for mean-field methods ## User API & Changelog headlines - [x] Enables robust second-order orbital...