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https://github.com/LCPQ/quantum_package
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29 lines
591 B
FortranFixed
29 lines
591 B
FortranFixed
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use bitmasks
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BEGIN_PROVIDER [ integer, N_det_generators ]
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implicit none
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BEGIN_DOC
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! For Single reference wave functions, the number of generators is 1 : the
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! Hartree-Fock determinant
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END_DOC
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N_det_generators = 1
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END_PROVIDER
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BEGIN_PROVIDER [ integer(bit_kind), psi_generators, (N_int,2,1) ]
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implicit none
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BEGIN_DOC
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! For Single reference wave functions, the generator is the
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! Hartree-Fock determinant
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END_DOC
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psi_generators = 0_bit_kind
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integer :: i
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do i=1,N_int
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psi_generators(i,1,1) = HF_bitmask(i,1)
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psi_generators(i,2,1) = HF_bitmask(i,2)
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enddo
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END_PROVIDER
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