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Merge pull request #20 from QuantumPackage/master

Bug fix
This commit is contained in:
Anthony Scemama 2019-03-08 16:59:54 +01:00 committed by GitHub
commit cab5c018cb
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2 changed files with 2 additions and 2 deletions

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@ -18,8 +18,8 @@
enddo
enddo
double precision :: accu
accu = 0.d0
do i = 1, N_states
accu = 0.d0
do j = 1, mo_num
accu += one_e_dm_mo_alpha(j,j,i) + one_e_dm_mo_beta(j,j,i)
enddo

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@ -17,8 +17,8 @@
enddo
enddo
enddo
accu = 0.d0
do i = 1, N_states
accu = 0.d0
do j = 1, mo_num
accu += one_e_dm_mo_alpha_for_dft(j,j,i) + one_e_dm_mo_beta_for_dft(j,j,i)
enddo