bugfix in restore_symmetry

2024-12-22 19:43:32 +01:00 · 2023-01-18 09:05:16 +01:00 · 2023-01-18 09:05:16 +01:00 · 66ce35f5db
commit 66ce35f5db
parent d2f234afb5
1 changed files with 1 additions and 0 deletions
--- 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