diff --git a/src/constrain_pot.f90 b/src/constrain_pot.f90 index 1ce0cddb8..6cfa4a087 100644 --- a/src/constrain_pot.f90 +++ b/src/constrain_pot.f90 @@ -187,6 +187,7 @@ subroutine constrain_dist(fix,n,at,xyz,g,e) mm = 2*m-1 i = fix%atoms(mm) j = fix%atoms(mm+1) + if (i == j) cycle ! workaround for ifx 2024.1.0 r0= fix%val(m) rij=xyz(:,j)-xyz(:,i) r = norm2(rij)