From 6daf1dd5ab6ddc473667df4a9163428550460db3 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Thu, 4 Mar 2021 15:07:01 +0100 Subject: [PATCH] fix bug --- src/eDFT/restricted_exchange_potential.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/eDFT/restricted_exchange_potential.f90 b/src/eDFT/restricted_exchange_potential.f90 index ddcbb2b..774edd8 100644 --- a/src/eDFT/restricted_exchange_potential.f90 +++ b/src/eDFT/restricted_exchange_potential.f90 @@ -66,7 +66,7 @@ subroutine restricted_exchange_potential(rung,DFA,LDA_centered,nEns,wEns,aCC_w1, cX = 0.20d0 aX = 0.72d0 - call restricted_lda_exchange_potential(DFA,nGrid,weight,nBas,AO,rho,FxLDA,Cx_choice) + call restricted_lda_exchange_potential(DFA,LDA_centered,nEns,wEns,aCC_w1,aCC_w2,nGrid,weight,nBas,AO,rho,Fx,Cx_choice) call restricted_gga_exchange_potential(DFA,nGrid,weight,nBas,AO,dAO,rho,drho,FxGGA) call restricted_fock_exchange_potential(nBas,P,ERI,FxHF)