From 66ce35f5dbfbea8f07daf3a631faf8d2bcdc269c Mon Sep 17 00:00:00 2001 From: ydamour Date: Wed, 18 Jan 2023 09:05:16 +0100 Subject: [PATCH] bugfix in restore_symmetry --- src/utils/linear_algebra.irp.f | 1 + 1 file changed, 1 insertion(+) diff --git a/src/utils/linear_algebra.irp.f b/src/utils/linear_algebra.irp.f index c1304698..44344a19 100644 --- a/src/utils/linear_algebra.irp.f +++ b/src/utils/linear_algebra.irp.f @@ -1735,6 +1735,7 @@ subroutine restore_symmetry(m,n,A,LDA,thresh) ! enddo ! Symmetrize + i = 1 do while( (i < sze).and.(-copy(i) > thresh) ) pi = i pf = i