Open Schoyen opened 4 years ago
Instead of using a new implementation of compute_reference_energy in cc_helper.py we should use the functionality from quantum-systems. However, note that we need to pass in the time-dependent one- and two-body matrix elements to the reference energy. https://github.com/Schoyen/coupled-cluster/blob/75695e577ccc1df570fa666283edf2c6dc5b50ed/coupled_cluster/cc_helper.py#L252-L276
compute_reference_energy
cc_helper.py
Instead of using a new implementation of
compute_reference_energyincc_helper.pywe should use the functionality from quantum-systems. However, note that we need to pass in the time-dependent one- and two-body matrix elements to the reference energy. https://github.com/Schoyen/coupled-cluster/blob/75695e577ccc1df570fa666283edf2c6dc5b50ed/coupled_cluster/cc_helper.py#L252-L276