diff --git a/src/utils/complex_DIIS_extrapolation.f90 b/src/utils/complex_DIIS_extrapolation.f90 index 340e3bb..21089b9 100644 --- a/src/utils/complex_DIIS_extrapolation.f90 +++ b/src/utils/complex_DIIS_extrapolation.f90 @@ -47,8 +47,6 @@ subroutine complex_DIIS_extrapolation(rcond,n_err,n_e,n_diis,error,e,error_in,e_ ! Solve linear system call complex_linear_solve(n_diis+1,A,b,w,rcond) - ! Perform extrapolation only if the system is well-conditioned - e_inout(:) = matmul(w(1:n_diis),transpose(e(:,1:n_diis))) ! Extrapolate