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changed thresholds

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eginer 2022-10-24 22:14:36 +02:00
parent 32875d4ab1
commit f5b0ba2e26
1 changed files with 3 additions and 3 deletions
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6
src/non_hermit_dav/lapack_diag_non_hermit.irp.f
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@ -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'