From 87bc1c4884916391bfc8dcf9520b22fcf367e680 Mon Sep 17 00:00:00 2001 From: moritzgubler Date: Fri, 16 Aug 2024 14:42:38 +0200 Subject: [PATCH] remove unused operator --- src/qmoperators/two_electron/FockBuilder.cpp | 7 ------- 1 file changed, 7 deletions(-) diff --git a/src/qmoperators/two_electron/FockBuilder.cpp b/src/qmoperators/two_electron/FockBuilder.cpp index a25e71865..bce8e5468 100644 --- a/src/qmoperators/two_electron/FockBuilder.cpp +++ b/src/qmoperators/two_electron/FockBuilder.cpp @@ -47,8 +47,6 @@ #include "qmoperators/qmoperator_utils.h" #include "utils/math_utils.h" -#include "qmoperators/one_electron/NablaOperator.h" - using mrcpp::Printer; using mrcpp::Timer; @@ -253,10 +251,6 @@ OrbitalVector FockBuilder::buildHelmholtzArgumentZORA(OrbitalVector &Phi, Orbita RankZeroOperator &kappa_m1 = *this->kappa_inv; RankZeroOperator &V_zora = this->zora_base; - std::shared_ptr> dd = std::make_shared>(*MRA, true); - NablaOperator nabla(dd, true); - nabla.setup(prec); - RankZeroOperator operOne = 0.5 * tensor::dot(p(kappa), p); RankZeroOperator operThree = kappa * V_zora + V_zora; operOne.setup(prec); @@ -308,7 +302,6 @@ OrbitalVector FockBuilder::buildHelmholtzArgumentZORA(OrbitalVector &Phi, Orbita out[i].add(1.0, arg[i]); } mrcpp::print::time(2, "Applying kappa inverse", t_kappa); - nabla.clear(); return out; }