diff --git a/src/HF/HFB.f90 b/src/HF/HFB.f90 index 35b3c1b..673a1bc 100644 --- a/src/HF/HFB.f90 +++ b/src/HF/HFB.f90 @@ -24,6 +24,7 @@ subroutine HFB(dotest,maxSCF,thresh,max_diis,level_shift,nNuc,ZNuc,rNuc,ENuc, double precision,intent(in) :: rNuc(nNuc,ncart) double precision,intent(in) :: ENuc double precision,intent(in) :: temperature,sigma + double precision,intent(in) :: eHF(nOrb) double precision,intent(in) :: S(nBas,nBas) double precision,intent(in) :: T(nBas,nBas) double precision,intent(in) :: V(nBas,nBas) @@ -75,7 +76,6 @@ subroutine HFB(dotest,maxSCF,thresh,max_diis,level_shift,nNuc,ZNuc,rNuc,ENuc, ! Output variables double precision,intent(out) :: EHFB - double precision,intent(inout):: eHF(nOrb) double precision,intent(inout):: c(nBas,nOrb) double precision,intent(out) :: P(nBas,nBas) double precision,intent(out) :: Panom(nBas,nBas) diff --git a/src/HF/fermi_dirac_occ.f90 b/src/HF/fermi_dirac_occ.f90 index 4af8cbf..f6ed6ab 100644 --- a/src/HF/fermi_dirac_occ.f90 +++ b/src/HF/fermi_dirac_occ.f90 @@ -9,6 +9,7 @@ subroutine fermi_dirac_occ(nO,nOrb,thrs_N,temperature,chem_pot,Occ,eHF) integer,intent(in) :: nO,nOrb double precision,intent(in) :: thrs_N double precision,intent(in) :: temperature + double precision,intent(in) :: eHF(nOrb) ! Local variables @@ -24,7 +25,6 @@ subroutine fermi_dirac_occ(nO,nOrb,thrs_N,temperature,chem_pot,Occ,eHF) ! Output variables double precision,intent(inout):: chem_pot - double precision,intent(inout):: eHF(nOrb) double precision,intent(inout):: Occ(nOrb) ! Initialize variables