mirror of
https://github.com/LCPQ/quantum_package
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46 lines
1.6 KiB
Fortran
46 lines
1.6 KiB
Fortran
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use bitmasks
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BEGIN_PROVIDER [integer(bit_kind), holes_operators, (N_int,2)]
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&BEGIN_PROVIDER [integer(bit_kind), particles_operators, (N_int,2)]
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BEGIN_DOC
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! holes_operators represents an array of integers where all the holes have
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! been done going from psi_ref to psi_non_ref
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! particles_operators represents an array of integers where all the particles have
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! been done going from psi_ref to psi_non_ref
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END_DOC
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holes_operators = 0_bit_kind
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particles_operators = 0_bit_kind
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implicit none
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integer(bit_kind), allocatable :: key_test(:,:)
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integer(bit_kind), allocatable :: holes(:,:),particles(:,:)
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allocate(key_test(N_int,2))
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allocate(holes(N_int,2),particles(N_int,2))
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integer :: i,j,k
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print*,'providing holes_operators and particles_operators'
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do i = 1, N_det_ref
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do j = 1, N_det_non_ref
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do k = 1, N_int
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key_test(k,1) = xor(psi_ref(k,1,i),psi_non_ref(k,1,j))
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key_test(k,2) = xor(psi_ref(k,2,i),psi_non_ref(k,2,j))
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enddo
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do k = 1,N_int
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holes(k,1) = iand(psi_ref(k,1,i),key_test(k,1))
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holes(k,2) = iand(psi_ref(k,2,i),key_test(k,2))
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particles(k,1) = iand(psi_non_ref(k,1,j),key_test(k,1))
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particles(k,2) = iand(psi_non_ref(k,2,j),key_test(k,2))
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enddo
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do k = 1, N_int
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holes_operators(k,1) = ior(holes_operators(k,1),holes(k,1))
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holes_operators(k,2) = ior(holes_operators(k,2),holes(k,2))
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particles_operators(k,1) = ior(particles_operators(k,1),particles(k,1))
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particles_operators(k,2) = ior(particles_operators(k,2),particles(k,2))
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enddo
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enddo
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enddo
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deallocate(key_test)
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deallocate(holes,particles)
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END_PROVIDER
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