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Fix rho calculation in vdw-DF.F for parallel threads

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Eric Bylaska 2025-11-20 16:20:05 -08:00 • committed by GitHub
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src/nwpw/pspw/lib/exchange-correlation/vdw-DF/vdw-DF.F
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@ -393,7 +393,7 @@
nthr = Parallel_nthreads()
do i=tid+1,n2ft3d,nthr
rho(i) = dn(i,1)+dn(1,ispin)+dncut
rho(i) = dn(i,1)+dn(i,ispin)+dncut
end do
!$OMP BARRIER