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eHF is intent_in

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Mauricio Rodriguez-Mayorga 2025-02-12 22:04:18 +01:00
parent 539009a05b
commit bc56e7f88e
2 changed files with 2 additions and 2 deletions
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2
src/HF/HFB.f90
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@ -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)

2
src/HF/fermi_dirac_occ.f90
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@ -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