From f5b0ba2e26569925ea1de61fc4fc9fca7f41aa14 Mon Sep 17 00:00:00 2001 From: eginer Date: Mon, 24 Oct 2022 22:14:36 +0200 Subject: [PATCH] changed thresholds --- src/non_hermit_dav/lapack_diag_non_hermit.irp.f | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/non_hermit_dav/lapack_diag_non_hermit.irp.f b/src/non_hermit_dav/lapack_diag_non_hermit.irp.f index 5bd227c6..090588d5 100644 --- a/src/non_hermit_dav/lapack_diag_non_hermit.irp.f +++ b/src/non_hermit_dav/lapack_diag_non_hermit.irp.f @@ -610,7 +610,7 @@ subroutine impose_biorthog_qr(m, n, Vl, Vr) accu_nd = dsqrt(accu_nd) thr_d = 1d-10 - thr_nd = 1d-12 + thr_nd = 1d-08 if((accu_nd .lt. thr_nd) .and. (dabs(accu_d-dble(n)) .lt. thr_d)) then print *, ' bi-orthogonal vectors without QR !' deallocate(S) @@ -1675,7 +1675,7 @@ subroutine check_weighted_biorthog(n, m, W, Vl, Vr, accu_d, accu_nd, S, stop_ifn double precision, allocatable :: SS(:,:), tmp(:,:) thr_d = 1d-6 - thr_nd = 1d-10 + thr_nd = 1d-08 print *, ' check weighted bi-orthogonality' @@ -1742,7 +1742,7 @@ subroutine check_biorthog(n, m, Vl, Vr, accu_d, accu_nd, S, stop_ifnot) double precision, allocatable :: SS(:,:) thr_d = 1d-6 - thr_nd = 1d-10 + thr_nd = 1d-08 print *, ' check bi-orthogonality'