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fixed h_core energy for multistate
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commit
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@ -18,8 +18,8 @@
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enddo
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double precision :: accu
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double precision :: accu
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accu = 0.d0
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do i = 1, N_states
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do i = 1, N_states
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accu = 0.d0
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do j = 1, mo_num
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do j = 1, mo_num
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accu += one_e_dm_mo_alpha(j,j,i) + one_e_dm_mo_beta(j,j,i)
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accu += one_e_dm_mo_alpha(j,j,i) + one_e_dm_mo_beta(j,j,i)
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enddo
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enddo
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@ -17,8 +17,8 @@
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enddo
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enddo
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enddo
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enddo
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enddo
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enddo
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accu = 0.d0
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do i = 1, N_states
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do i = 1, N_states
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accu = 0.d0
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do j = 1, mo_num
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do j = 1, mo_num
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accu += one_e_dm_mo_alpha_for_dft(j,j,i) + one_e_dm_mo_beta_for_dft(j,j,i)
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accu += one_e_dm_mo_alpha_for_dft(j,j,i) + one_e_dm_mo_beta_for_dft(j,j,i)
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enddo
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enddo
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