When using the "in-cluster" approximated cumulant DM-energy, we can calculate the energy contribution locally in the fragment kernel. This allows us to discard cluster ERIs after this kernel, similary how it was done month ago.
If this mode of calculation is supported depends on the solver. For the time being, calc_e_dm_corr is False by default.
When using the "in-cluster" approximated cumulant DM-energy, we can calculate the energy contribution locally in the fragment kernel. This allows us to discard cluster ERIs after this kernel, similary how it was done month ago.
If this mode of calculation is supported depends on the solver. For the time being,
calc_e_dm_corrisFalseby default.