From 7d34ede86772e1e3787bf7b4b97df8cb3069d899 Mon Sep 17 00:00:00 2001 From: Jiri Pittner Date: Fri, 30 Oct 2026 21:34:39 +0100 Subject: [PATCH] bugfix in diis --- diis.h | 2 ++ 1 file changed, 2 insertions(+) diff --git a/diis.h b/diis.h index 4a39bac..633fc57 100644 --- a/diis.h +++ b/diis.h @@ -55,6 +55,8 @@ public: void setup(const int n, const bool core=1); //can be called repeatedly, previous storage is released void reset(); //forget the stored vectors, keep the storage ~DIIS(); + DIIS(const DIIS &) = delete; //owns raw storage, not copyable + DIIS & operator=(const DIIS &) = delete; typename LA_traits::normtype extrapolate(T &vec, U &errvec, bool verbose=false, const Un diiseps=0, bool errvecout=false); //vec is input/output, errvec optionally too; returns square residual norm };