Small addition to TD: now it can print "orbital occupations", undestood as the otrhonormal density matrix eigenvalues. This is not intended to evaluate MO evolution itself (since the identity of MOs may change from step to step), but rather as a sanity check in cases where the initial state for TD may not come from a simple SCF (such as densities obtained by addition/substraction).
Small addition to TD: now it can print "orbital occupations", undestood as the otrhonormal density matrix eigenvalues. This is not intended to evaluate MO evolution itself (since the identity of MOs may change from step to step), but rather as a sanity check in cases where the initial state for TD may not come from a simple SCF (such as densities obtained by addition/substraction).