diff --git a/src/QmcChem/pot_ao_pseudo_ints.irp.f b/src/QmcChem/pot_ao_pseudo_ints.irp.f index 3b655b00..9ab4ac63 100644 --- a/src/QmcChem/pot_ao_pseudo_ints.irp.f +++ b/src/QmcChem/pot_ao_pseudo_ints.irp.f @@ -71,8 +71,11 @@ BEGIN_PROVIDER [ double precision, mo_pseudo_grid, (ao_num,-pseudo_lmax:pseudo_l integer :: n_a(3) double precision :: a(3), c(3), g_a integer :: i,j,k,l,m,n,p - double precision :: r(pseudo_grid_size), dr, Ulc + double precision :: dr, Ulc double precision :: y + double precision, allocatable :: r(:) + + allocate (r(pseudo_grid_size)) dr = pseudo_grid_rmax/dble(pseudo_grid_size) r(1) = 0.d0 @@ -95,6 +98,7 @@ BEGIN_PROVIDER [ double precision, mo_pseudo_grid, (ao_num,-pseudo_lmax:pseudo_l enddo enddo enddo + deallocate(r) END_PROVIDER