diff --git a/src/mu_of_r/f_hf_utils.irp.f b/src/mu_of_r/f_hf_utils.irp.f index b89dda18..8480a288 100644 --- a/src/mu_of_r/f_hf_utils.irp.f +++ b/src/mu_of_r/f_hf_utils.irp.f @@ -9,6 +9,7 @@ BEGIN_PROVIDER [double precision, two_e_int_hf_f, (n_basis_orb,n_basis_orb,n_max END_DOC integer :: orb_i,orb_j,i,j,orb_m,orb_n,m,n double precision :: get_two_e_integral + PROVIDE mo_two_e_integrals_in_map mo_integrals_map big_array_exchange_integrals do orb_m = 1, n_max_occ_val_orb_for_hf! electron 1 m = list_valence_orb_for_hf(orb_m,1) do orb_n = 1, n_max_occ_val_orb_for_hf! electron 2 diff --git a/src/mu_of_r/f_psi_i_a_v_utils.irp.f b/src/mu_of_r/f_psi_i_a_v_utils.irp.f index aed054ae..427da199 100644 --- a/src/mu_of_r/f_psi_i_a_v_utils.irp.f +++ b/src/mu_of_r/f_psi_i_a_v_utils.irp.f @@ -235,6 +235,7 @@ BEGIN_PROVIDER [double precision, two_e_int_aa_f, (n_basis_orb,n_basis_orb,n_act END_DOC integer :: orb_i,orb_j,i,j,orb_m,orb_n,m,n double precision :: integrals_array(mo_num,mo_num),get_two_e_integral + PROVIDE mo_two_e_integrals_in_map mo_integrals_map big_array_exchange_integrals do orb_m = 1, n_act_orb ! electron 1 m = list_act(orb_m) do orb_n = 1, n_act_orb ! electron 2 @@ -264,6 +265,7 @@ BEGIN_PROVIDER [double precision, two_e_int_ia_f, (n_basis_orb,n_basis_orb,n_ina END_DOC integer :: orb_i,orb_j,i,j,orb_m,orb_n,m,n double precision :: integrals_array(mo_num,mo_num),get_two_e_integral + PROVIDE mo_two_e_integrals_in_map mo_integrals_map big_array_exchange_integrals do orb_m = 1, n_act_orb ! electron 1 m = list_act(orb_m) do orb_n = 1, n_inact_orb ! electron 2 @@ -293,6 +295,7 @@ BEGIN_PROVIDER [double precision, two_e_int_ii_f, (n_basis_orb,n_basis_orb,n_ina END_DOC integer :: orb_i,orb_j,i,j,orb_m,orb_n,m,n double precision :: get_two_e_integral,integrals_array(mo_num,mo_num) + PROVIDE mo_two_e_integrals_in_map mo_integrals_map big_array_exchange_integrals do orb_m = 1, n_inact_orb ! electron 1 m = list_inact(orb_m) do orb_n = 1, n_inact_orb ! electron 2