diff --git a/el_nuc_el_blas.irp.f b/el_nuc_el_blas.irp.f index 8814fcf..428228e 100644 --- a/el_nuc_el_blas.irp.f +++ b/el_nuc_el_blas.irp.f @@ -7,10 +7,13 @@ END_DOC integer :: i, j, a, p, k, l, lmax, m, n - double precision :: cn(ncord), accu - double precision :: f(nnuc,0:ncord-2,0:ncord-2) - double precision :: tmp_c(nelec,nnuc,0:ncord,0:ncord-1) - double precision :: dtmp_c(4,nelec,nnuc,0:ncord,0:ncord-1) + double precision :: accu + double precision,dimension(:),allocatable :: cn + double precision,dimension(:,:,:,:),allocatable :: tmp_c + double precision,dimension(:,:,:,:,:),allocatable :: dtmp_c + allocate(cn(ncord)) + allocate(tmp_c(nelec,nnuc,0:ncord,0:ncord-1)) + allocate(dtmp_c(4,nelec,nnuc,0:ncord,0:ncord-1)) factor_een_blas = 0.0d0 factor_een_deriv_e_blas(1:4,1:nelec) = 0.0d0 @@ -71,4 +74,7 @@ enddo enddo + deallocate(cn) + deallocate(tmp_c) + deallocate(dtmp_c) END_PROVIDER