diff --git a/src/Integrals_Bielec/ao_bi_integrals.irp.f b/src/Integrals_Bielec/ao_bi_integrals.irp.f index 19f4d2a7..34833f3b 100644 --- a/src/Integrals_Bielec/ao_bi_integrals.irp.f +++ b/src/Integrals_Bielec/ao_bi_integrals.irp.f @@ -727,6 +727,7 @@ subroutine integrale_new(I_f,a_x,b_x,c_x,d_x,a_y,b_y,c_y,d_y,a_z,b_z,c_z,d_z,p,q implicit none + include 'Utils/constants.include.F' double precision :: p,q integer :: a_x,b_x,c_x,d_x,a_y,b_y,c_y,d_y,a_z,b_z,c_z,d_z integer :: i, n_iter, n_pt, j @@ -741,8 +742,9 @@ subroutine integrale_new(I_f,a_x,b_x,c_x,d_x,a_y,b_y,c_y,d_y,a_z,b_z,c_z,d_z,p,q p01_1 = 0.5d0/q p10_2 = 0.5d0 * q /(p * q + p * p) p01_2 = 0.5d0 * p /(q * q + q * p) - double precision :: B10(n_pt), B01(n_pt), B00(n_pt) - double precision :: t1(n_pt), t2(n_pt) + double precision :: B00(n_pt_max_integrals) + double precision :: B10(n_pt_max_integrals), B01(n_pt_max_integrals) + double precision :: t1(n_pt_max_integrals), t2(n_pt_max_integrals) !DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: t1, t2, B10, B01, B00 ix = a_x+b_x jx = c_x+d_x @@ -797,10 +799,11 @@ recursive subroutine I_x1_new(a,c,B_10,B_01,B_00,res,n_pt) ! recursive function involved in the bielectronic integral END_DOC implicit none + include 'Utils/constants.include.F' integer, intent(in) :: a,c,n_pt - double precision, intent(in) :: B_10(n_pt),B_01(n_pt),B_00(n_pt) - double precision, intent(out) :: res(n_pt) - double precision :: res2(n_pt) + double precision, intent(in) :: B_10(n_pt_max_integrals),B_01(n_pt_max_integrals),B_00(n_pt_max_integrals) + double precision, intent(out) :: res(n_pt_max_integrals) + double precision :: res2(n_pt_max_integrals) integer :: i if(c<0)then @@ -832,9 +835,10 @@ recursive subroutine I_x2_new(c,B_10,B_01,B_00,res,n_pt) BEGIN_DOC ! recursive function involved in the bielectronic integral END_DOC + include 'Utils/constants.include.F' integer, intent(in) :: c, n_pt - double precision, intent(in) :: B_10(n_pt),B_01(n_pt),B_00(n_pt) - double precision, intent(out) :: res(n_pt) + double precision, intent(in) :: B_10(n_pt_max_integrals),B_01(n_pt_max_integrals),B_00(n_pt_max_integrals) + double precision, intent(out) :: res(n_pt_max_integrals) integer :: i if(c==1)then