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  • Committer: Alberto Garcia
  • Date: 2019-09-02 14:09:43 UTC
  • mfrom: (427.6.323 trunk)
  • Revision ID: albertog@icmab.es-20190902140943-mzmbe1jacgefpgxw
Sync to trunk-776 (notably nc/soc wavefunction support)


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Src/m_pulay.F90
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    !  Compute current maximum deviation ...........
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    dmax = 0.0_dp
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!$OMP parallel do default(shared), &
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!$OMP&collapse(2), private(is,ind), reduction(max:dmax)
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    do is = 1,nspin
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       do ind = 1 , maxnd
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          dmax = max(dmax, abs(dmnew(ind,is) - dmold(ind,is)))
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       end do
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    enddo
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!$OMP end parallel do
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#ifdef MPI
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    ! Ensure that dmax is the same on all nodes for convergence test/output