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Viewing changes to Src/m_ts_fullk.F90

  • Committer: Nils Wittemeier
  • Date: 2019-02-14 07:45:07 UTC
  • mfrom: (746.1.15 trunk)
  • Revision ID: nils@4wittemeier.de-20190214074507-1mvzbmj9kw19gllr
Merged trunk 761

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Src/m_ts_fullk.F90
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    if ( IsVolt ) then
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       call de_alloc(GFGGF_work, routine='transiesta')
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    end if
 
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    ! Nullify external pointers
 
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    do iEl = 1, N_Elec
 
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      nullify(Elecs(iEl)%Sigma)
 
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    end do
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#ifdef TRANSIESTA_DEBUG
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    call write_debug( 'POS transiesta mem' )
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#ifdef TS_DEV    
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    if (.not. hasSaved )then
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       hasSaved = .true.
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       GFinv(1:no_u**2) = dcmplx(0._dp,0._dp)
 
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       GFinv(1:no_u**2) = cmplx(0._dp,0._dp,dp)
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       do io = 1, no_u
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          if ( l_ncol(io) == 0 ) cycle
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          ioff = orb_offset(io) - 1
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       if (ionode) then
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          i = 50
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          open(i,form='unformatted')
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          write(i) dcmplx(100._dp,100._dp)
 
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          write(i) cmplx(100._dp,100._dp,dp)
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          write(i) no_u
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          write(i) no_u
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          write(i) GFinv(1:no_u**2)
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          write(i) no_u
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          GFinv(1:no_u**2) = dcmplx(0._dp,0._dp)
 
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          GFinv(1:no_u**2) = cmplx(0._dp,0._dp,dp)
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          do io = 1, no_u
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             if ( l_ncol(io) == 0 ) cycle
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             ioff = orb_offset(io) - 1
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    ! Initialize
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!$OMP workshare
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    GFinv(1:no_u**2) = dcmplx(0._dp,0._dp)
 
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    GFinv(1:no_u**2) = cmplx(0._dp,0._dp,dp)
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!$OMP end workshare
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    ! We will only loop in the central region