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fix bug

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This commit is contained in:
Pierre-Francois Loos 2021-03-04 15:07:01 +01:00
parent eeadbf5c55
commit 6daf1dd5ab
1 changed files with 1 additions and 1 deletions
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src/eDFT/restricted_exchange_potential.f90
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@ -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)