diff --git a/src/Davidson/diagonalization.irp.f b/src/Davidson/diagonalization.irp.f index 7094ba5b..802fee95 100644 --- a/src/Davidson/diagonalization.irp.f +++ b/src/Davidson/diagonalization.irp.f @@ -322,6 +322,7 @@ subroutine davidson_diag_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,N_st,N_st_dia character*(16384) :: write_buffer double precision :: to_print(2,N_st) double precision :: cpu, wall + include 'constants.include.F' !DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: U, W, R, y, h, lambda @@ -382,9 +383,13 @@ subroutine davidson_diag_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,N_st,N_st_dia converged = .False. do k=N_st+1,N_st_diag + double precision :: r1, r2 do i=1,sze - call RANDOM_NUMBER(u_in(i,k)) - u_in(i,k) = u_in(i,k) - 0.5d0 + call random_number(r1) + call random_number(r2) + u_in(i,k) = dsqrt(-2.d0*dlog(r1))*dcos(dtwo_pi*r2) +! call RANDOM_NUMBER(u_in(i,k)) +! u_in(i,k) = u_in(i,k) - 0.5d0 enddo ! Gram-Schmidt