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fix bug

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This commit is contained in:
Pierre-Francois Loos 2021-03-04 15:07:39 +01:00
parent 6daf1dd5ab
commit 3d1da67d33
1 changed files with 2 additions and 2 deletions
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4
src/eDFT/restricted_exchange_potential.f90
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@ -66,8 +66,8 @@ subroutine restricted_exchange_potential(rung,DFA,LDA_centered,nEns,wEns,aCC_w1,
cX = 0.20d0
aX = 0.72d0
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_lda_exchange_potential(DFA,LDA_centered,nEns,wEns,aCC_w1,aCC_w2,nGrid,weight,nBas,AO,rho,FxLDA,Cx_choice)
call restricted_gga_exchange_potential(DFA,nEns,wEns,nGrid,weight,nBas,AO,dAO,rho,drho,FxGGA)
call restricted_fock_exchange_potential(nBas,P,ERI,FxHF)
Fx(:,:) = FxLDA(:,:) &