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Viewing changes to Util/TS/TBtrans/m_tbt_tri_init.F90

  • Committer: Alberto Garcia
  • Date: 2019-09-02 14:50:38 UTC
  • mfrom: (660.1.118 trunk)
  • Revision ID: albertog@icmab.es-20190902145038-bw6j71uayu72a1h6
Sync to trunk-778 (notably nc/soc wfs support)

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Util/TS/TBtrans/m_tbt_tri_init.F90
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    call attach(tmpSp1, n_col = ncol, list_ptr = l_ptr, &
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         list_col = l_col , nrows_g = no , nnzs = n_nzs )
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    ! Check whether we are dealing with a 1-orbital system
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    one_orb = no == lasto(na_u)
 
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    one_orb = no == na_u
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    fmethod = 'orb+none'
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    if ( IONode ) write(*,fmt) 'orb','none'
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       if ( one_orb ) then
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          ! Same as 'atom'
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          corb = 'atom'
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       else
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          if ( leqi(fdf_get('TBT.BTD.Analyze','atom'),'atom') ) cycle
 
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        else
 
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          if ( leqi(fdf_get('TBT.BTD.Analyze','atom'),'atom') ) cycle orb_atom_switch
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       end if
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       call rgn_copy(r_pvt,full)
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       call tri(r_El)
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    end if
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#if defined(TS_PVT_GGPS) || defined(TBT_PVT_GGPS)
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    fmethod = trim(corb)//'+GGPS'
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    if ( IONode ) write(*,fmt) trim(corb),'GGPS'
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    call sp_pvt(n,tmpSp2,r_tmp, PVT_GGPS, sub = full)
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       call rgn_atom2orb(r_tmp,na_u,lasto,r_El)
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       call tri(r_El)
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    end if
 
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#endif
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    end do orb_atom_switch
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