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Viewing changes to Src/ts_init.F90

  • Committer: Rafi Ullah
  • Date: 2017-09-27 12:02:36 UTC
  • mfrom: (611.1.22 trunk)
  • Revision ID: rraffiu@gmail.com-20170927120236-68zal54nt0bu1jxp
Merged with trunk-633

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Src/ts_init.F90
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          if ( .not. is_fixed(ia) ) then
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             call die('All buffer atoms *MUST* be &
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                  &fixed while doing transiesta geometry optimizations. &
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                  &Please correct constraints on buffer atoms.')
 
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                  &Please correct Geometry.Constraints for buffer atoms.')
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          end if
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       end do
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       do i = 1 , N_Elec
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                  .or. is_fixed(ia) ) ) then
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                call die('All electrode atoms *MUST* be &
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                     &fixed while doing transiesta geometry optimizations. &
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                     &Please correct electrodes.')
 
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                     &Please correct Geometry.Constraints for electrode atoms.')
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             end if
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          end do
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       end do