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fix bug

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Pierre-Francois Loos 2021-03-04 15:06:16 +01:00
parent 75ec2443c1
commit eeadbf5c55
1 changed files with 1 additions and 1 deletions
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src/eDFT/restricted_exchange_energy.f90
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@ -64,7 +64,7 @@ subroutine restricted_exchange_energy(rung,DFA,LDA_centered,nEns,wEns,aCC_w1,aCC
aX = 0.72d0 aX = 0.72d0
aC = 0.81d0 aC = 0.81d0
call restricted_lda_exchange_energy(DFA,nEns,wEns,nGrid,weight,rho,ExLDA,Cx_choice) call restricted_lda_exchange_energy(DFA,LDA_centered,nEns,wEns,aCC_w1,aCC_w2,nGrid,weight,rho,ExLDA,Cx_choice)
call restricted_gga_exchange_energy(DFA,nEns,wEns,nGrid,weight,rho,drho,ExGGA) call restricted_gga_exchange_energy(DFA,nEns,wEns,nGrid,weight,rho,drho,ExGGA)
call restricted_fock_exchange_energy(nBas,P,FxHF,ExHF) call restricted_fock_exchange_energy(nBas,P,FxHF,ExHF)