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Viewing changes to Src/read_options.F90

  • Committer: Alberto Garcia
  • Date: 2018-04-11 09:23:27 UTC
  • mfrom: (553.1.8 4.0)
  • Revision ID: albertog@icmab.es-20180411092327-n50nhese5rwllghh
Sync to 4.0 r561

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Src/read_options.F90
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  partial_charges_at_every_scf_step =  &
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       fdf_get('PartialChargesAtEveryScfStep',.false.)
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  if ( fdf_get('Compat.Matel.NRTAB', .false.) ) then
 
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    matel_NRTAB = 128
 
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  else
 
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    matel_NRTAB = 1024
 
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  end if
 
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  if ( IONode ) then
 
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    write(6,4) 'redata: Matel table size (NRTAB)         = ', matel_NRTAB
 
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  end if
 
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  if (cml_p) then
 
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    call cmlAddParameter( xf=mainXML, name='MatelNRTAB',value=matel_NRTAB, &
 
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        dictRef='siesta:matel_nrtab', units="cmlUnits:countable")
 
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  end if
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  ! Planewave cutoff of the real space mesh ...
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  g2cut = fdf_get('MeshCutoff',g2cut_default,'Ry')
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  if (ionode) then
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     write(6,6) 'redata: Mesh Cutoff                      = ', g2cut,'  Ry'
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  endif
 
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     write(6,6)'redata: Mesh Cutoff                      = ', g2cut,' Ry'
 
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   endif
 
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  if (cml_p) then
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     call cmlAddParameter( xf=mainXML, name='MeshCutOff', value=g2cut,     &