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bug fix excitation_density_from_MO.f90

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arjanberger10 2019-03-09 00:02:18 +01:00
parent 609615bd3a
commit 509d96d4bb
1 changed files with 1 additions and 1 deletions
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src/MCQC/excitation_density_from_MO.f90
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@ -25,7 +25,7 @@ subroutine excitation_density_from_MO(nBas,nC,nO,nR,nS,G,XpY,rho)
do j=nC+1,nO
do b=nO+1,nBas-nR
jb = jb + 1
rho(x,y,ia) = rho(x,y,ia) + G(x,y,j,b)*XpY(ia,jb)
rho(x,y,ia) = rho(x,y,ia) + G(x,j,y,b)*XpY(ia,jb)
enddo
enddo
enddo