Missing force for constrained DFT
When we performed constrained DFT calculations, we need to add another force contribution, see for instance https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00284
Edited by Nicolas Tancogne-Dejean
When we performed constrained DFT calculations, we need to add another force contribution, see for instance https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00284