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fixing bug in memory allocation
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@ -106,7 +106,7 @@ subroutine eDFT(maxSCF,thresh,max_diis,guess_type,mix,nNuc,ZNuc,rNuc,ENuc,nBas,n
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! Allocate ensemble weights and MO coefficients
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allocate(wEns(maxEns),aCC(maxCC,nEns-1),occnum(nBas,nspin,maxEns))
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allocate(wEns(maxEns),aCC(maxCC,maxEns-1),occnum(nBas,nspin,maxEns))
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call read_options_dft(nBas,method,x_rung,x_DFA,c_rung,c_DFA,SGn,nEns,wEns,nCC,aCC, &
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doNcentered,occnum,Cx_choice)
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