From 23dad0ee44d24e99fac6785fad4a5e64c589ea2d Mon Sep 17 00:00:00 2001 From: maki49 <1579492865@qq.com> Date: Sat, 13 Jul 2024 14:46:38 +0800 Subject: [PATCH] put two_level_step inside if(cal_exx) --- source/module_ri/Exx_LRI_interface.hpp | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/source/module_ri/Exx_LRI_interface.hpp b/source/module_ri/Exx_LRI_interface.hpp index 5dba84664d..def1417b55 100644 --- a/source/module_ri/Exx_LRI_interface.hpp +++ b/source/module_ri/Exx_LRI_interface.hpp @@ -72,10 +72,10 @@ void Exx_LRI_Interface::exx_beforescf(const K_Vectors& kv, const Charg this->mix_DMk_2D.set_mixing(nullptr); } else { this->mix_DMk_2D.set_mixing(chgmix.get_mixing()); -} + } + // for exx two_level scf + this->two_level_step = 0; } - // for exx two_level scf - this->two_level_step = 0; #endif // __MPI }