diff --git a/src/two_body_rdm/act_2_rdm.irp.f b/src/two_body_rdm/act_2_rdm.irp.f index 3d4a9ace..2473d3c8 100644 --- a/src/two_body_rdm/act_2_rdm.irp.f +++ b/src/two_body_rdm/act_2_rdm.irp.f @@ -25,6 +25,7 @@ print*,'Providing act_2_rdm_ab_mo ' ispin = 3 act_2_rdm_ab_mo = 0.d0 + provide mo_two_e_integrals_in_map call wall_time(wall_1) if(read_two_body_rdm_ab)then print*,'Reading act_2_rdm_ab_mo from disk ...' diff --git a/src/two_rdm_routines/davidson_like_2rdm.irp.f b/src/two_rdm_routines/davidson_like_2rdm.irp.f index 3ad218e0..2e5aa4d1 100644 --- a/src/two_rdm_routines/davidson_like_2rdm.irp.f +++ b/src/two_rdm_routines/davidson_like_2rdm.irp.f @@ -19,6 +19,7 @@ subroutine orb_range_2_rdm_openmp(big_array,dim1,norb,list_orb,ispin,u_0,N_st,sz integer :: k double precision, allocatable :: u_t(:,:) !DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: u_t + PROVIDE mo_two_e_integrals_in_map allocate(u_t(N_st,N_det)) do k=1,N_st call dset_order(u_0(1,k),psi_bilinear_matrix_order,N_det)