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Merge branch 'master' of https://github.com/pfloos/QuAcK
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commit
83a4e2f68b
@ -382,7 +382,11 @@ subroutine read_options_dft(nBas,method,x_rung,x_DFA,c_rung,c_DFA,SGn,nEns,wEns,
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if (doNcentered) then
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do iEns=2,nEns
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wEns(iEns) = (nEl(1)/nEl(iEns))*wEns(iEns)
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if(nEl(iEns) > 0d0) then
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wEns(iEns) = (nEl(1)/nEl(iEns))*wEns(iEns)
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else
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wEns(iENs) = 0d0
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end if
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end do
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end if
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