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https://github.com/LCPQ/quantum_package
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35 lines
852 B
Fortran
35 lines
852 B
Fortran
use bitmasks
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BEGIN_PROVIDER [ integer, psi_selectors_size ]
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implicit none
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psi_selectors_size = psi_det_size
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, psi_selectors_coef_transp, (N_states,psi_selectors_size) ]
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implicit none
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BEGIN_DOC
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! Transposed psi_selectors
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END_DOC
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integer :: i,k
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do i=1,N_det_selectors
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do k=1,N_states
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psi_selectors_coef_transp(k,i) = psi_selectors_coef(i,k)
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enddo
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, psi_selectors_diag_h_mat, (psi_selectors_size) ]
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implicit none
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BEGIN_DOC
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! Diagonal elements of the H matrix for each selectors
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END_DOC
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integer :: i
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double precision :: diag_H_mat_elem
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do i = 1, N_det_selectors
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psi_selectors_diag_h_mat(i) = diag_H_mat_elem(psi_selectors(1,1,i),N_int)
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enddo
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END_PROVIDER
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