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Merge branch 'master' into dev-stable
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commit
b99254fbc5
@ -16,13 +16,13 @@ BEGIN_PROVIDER [double precision, two_e_dm_mo, (mo_num,mo_num,mo_num,mo_num)]
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two_e_dm_mo = 0.d0
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two_e_dm_mo = 0.d0
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integer :: i,j,k,l,iorb,jorb,korb,lorb,istate
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integer :: i,j,k,l,iorb,jorb,korb,lorb,istate
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do l=1,mo_num
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do l=1,n_core_inact_act_orb
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lorb = list_core_inact_act(l)
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lorb = list_core_inact_act(l)
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do k=1,mo_num
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do k=1,n_core_inact_act_orb
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korb = list_core_inact_act(k)
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korb = list_core_inact_act(k)
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do j=1,mo_num
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do j=1,n_core_inact_act_orb
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jorb = list_core_inact_act(j)
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jorb = list_core_inact_act(j)
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do i=1,mo_num
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do i=1,n_core_inact_act_orb
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iorb = list_core_inact_act(i)
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iorb = list_core_inact_act(i)
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two_e_dm_mo(iorb,jorb,korb,lorb) = state_av_full_occ_2_rdm_spin_trace_mo(i,j,k,l)
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two_e_dm_mo(iorb,jorb,korb,lorb) = state_av_full_occ_2_rdm_spin_trace_mo(i,j,k,l)
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enddo
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enddo
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