diff --git a/my_pyscf/mcscf/lasci.py b/my_pyscf/mcscf/lasci.py index 7861d4ac..f4b90903 100644 --- a/my_pyscf/mcscf/lasci.py +++ b/my_pyscf/mcscf/lasci.py @@ -518,7 +518,6 @@ def get_init_guess_ci (las, mo_coeff=None, h2eff_sub=None, ci0=None): def _combine_init_guess_ci (las, ci0i, ci0g, norb, nelec, nroots): ''' Function to handle the combination of a generated set of guess CI vectors (ci0g) with existing CI vectors (ci0i) already stored. ''' - # TODO: lasscf_rdm version of this function to handle pending numpy deprecation noted below nroots0 = 0 ndet = tuple ([cistring.num_strings (norb, n) for n in nelec]) ci0g = np.asarray (ci0g) # TODO: this leads to deprecated behavior in lasscf_rdm