mirror of
https://github.com/LCPQ/quantum_package
synced 2024-07-17 16:33:40 +02:00
191 lines
5.0 KiB
Fortran
191 lines
5.0 KiB
Fortran
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BEGIN_PROVIDER [ double precision, one_creation_spin_averaged, (n_act_orb)]
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implicit none
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integer :: i
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do i = 1, n_act_orb
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one_creation_spin_averaged(i) = one_creation(i,1) + one_creation(i,2)
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one_creation_spin_averaged(i) = 0.5d0 * one_creation_spin_averaged(i)
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, one_anhilation_spin_averaged, (n_act_orb)]
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implicit none
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integer :: i
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do i = 1, n_act_orb
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one_anhilation_spin_averaged(i) = one_anhilation(i,1) + one_anhilation(i,2)
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one_anhilation_spin_averaged(i) = 0.5d0 * one_anhilation_spin_averaged(i)
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, two_creation_spin_averaged, (n_act_orb,n_act_orb)]
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implicit none
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integer :: i,j
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integer :: ispin,jspin
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double precision :: counting
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do i = 1, n_act_orb
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do j = 1, n_act_orb
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two_creation_spin_averaged(j,i) = 0.d0
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counting = 0.d0
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do ispin = 1, 2
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do jspin = 1,2
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two_creation_spin_averaged(j,i) += two_creation(j,i,ispin,jspin)
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counting += 1.d0
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enddo
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enddo
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two_creation_spin_averaged(j,i) = two_creation_spin_averaged(j,i) / counting
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enddo
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, two_anhilation_spin_averaged, (n_act_orb,n_act_orb)]
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implicit none
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integer :: i,j
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integer :: ispin,jspin
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double precision :: counting
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do i = 1, n_act_orb
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do j = 1, n_act_orb
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two_anhilation_spin_averaged(j,i) = 0.d0
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counting = 0.d0
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do ispin = 1, 2
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do jspin = 1,2
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two_anhilation_spin_averaged(j,i) += two_anhilation(j,i,ispin,jspin)
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counting += 1.d0
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enddo
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enddo
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two_anhilation_spin_averaged(j,i) = two_anhilation_spin_averaged(j,i) / counting
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enddo
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, one_anhilation_one_creation_spin_averaged, (n_act_orb,n_act_orb)]
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implicit none
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integer :: i,j
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integer :: ispin,jspin
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double precision :: counting
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do i = 1, n_act_orb
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do j = 1, n_act_orb
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one_anhilation_one_creation_spin_averaged(j,i) = 0.d0
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counting = 0.d0
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do ispin = 1, 2
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do jspin = 1,2
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one_anhilation_one_creation_spin_averaged(j,i) += one_anhilation_one_creation(j,i,jspin,ispin)
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counting += 1.d0
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enddo
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enddo
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one_anhilation_one_creation_spin_averaged(j,i) = one_anhilation_one_creation_spin_averaged(j,i) / counting
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enddo
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, two_anhilation_one_creation_spin_averaged, (n_act_orb,n_act_orb,n_act_orb)]
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implicit none
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integer :: i,j,k
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integer :: ispin,jspin,kspin
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double precision :: counting
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do i = 1, n_act_orb
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do j = 1, n_act_orb
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do k = 1, n_act_orb
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two_anhilation_one_creation_spin_averaged(k,j,i) = 0.d0
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counting = 0.d0
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do ispin = 1, 2
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do jspin = 1,2
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do kspin = 1,2
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two_anhilation_one_creation_spin_averaged(k,j,i) += two_anhilation_one_creation(k,j,i,kspin,jspin,ispin)
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counting += 1.d0
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enddo
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enddo
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two_anhilation_one_creation_spin_averaged(k,j,i) = two_anhilation_one_creation_spin_averaged(k,j,i) / counting
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enddo
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enddo
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enddo
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, two_creation_one_anhilation_spin_averaged, (n_act_orb,n_act_orb,n_act_orb)]
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implicit none
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integer :: i,j,k
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integer :: ispin,jspin,kspin
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double precision :: counting
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do i = 1, n_act_orb
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do j = 1, n_act_orb
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do k = 1, n_act_orb
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two_creation_one_anhilation_spin_averaged(k,j,i) = 0.d0
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counting = 0.d0
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do ispin = 1, 2
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do jspin = 1,2
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do kspin = 1,2
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two_creation_one_anhilation_spin_averaged(k,j,i) += two_creation_one_anhilation(k,j,i,kspin,jspin,ispin)
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counting += 1.d0
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enddo
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enddo
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two_creation_one_anhilation_spin_averaged(k,j,i) = two_creation_one_anhilation_spin_averaged(k,j,i) / counting
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enddo
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enddo
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enddo
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, three_creation_spin_averaged, (n_act_orb,n_act_orb,n_act_orb)]
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implicit none
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integer :: i,j,k
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integer :: ispin,jspin,kspin
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double precision :: counting
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do i = 1, n_act_orb
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do j = 1, n_act_orb
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do k = 1, n_act_orb
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three_creation_spin_averaged(k,j,i) = 0.d0
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counting = 0.d0
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do ispin = 1, 2
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do jspin = 1,2
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do kspin = 1,2
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three_creation_spin_averaged(k,j,i) += three_creation(k,j,i,kspin,jspin,ispin)
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counting += 1.d0
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enddo
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enddo
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three_creation_spin_averaged(k,j,i) = three_creation_spin_averaged(k,j,i) / counting
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enddo
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enddo
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enddo
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, three_anhilation_spin_averaged, (n_act_orb,n_act_orb,n_act_orb)]
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implicit none
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integer :: i,j,k
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integer :: ispin,jspin,kspin
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double precision :: counting
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do i = 1, n_act_orb
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do j = 1, n_act_orb
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do k = 1, n_act_orb
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three_anhilation_spin_averaged(k,j,i) = 0.d0
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counting = 0.d0
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do ispin = 1, 2
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do jspin = 1,2
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do kspin = 1,2
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three_anhilation_spin_averaged(k,j,i) += three_anhilation(k,j,i,kspin,jspin,ispin)
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counting += 1.d0
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enddo
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enddo
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three_anhilation_spin_averaged(k,j,i) = three_anhilation_spin_averaged(k,j,i) / counting
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enddo
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enddo
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enddo
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enddo
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END_PROVIDER
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