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39 lines
853 B
Fortran
39 lines
853 B
Fortran
program projected_operators
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implicit none
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BEGIN_DOC
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! TODO
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END_DOC
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read_wf = .True.
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touch read_wf
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! You specify that you want to avoid any contribution from
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! orbitals coming from core
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no_core_density = .True.
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touch no_core_density
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mu_of_r_potential = "cas_full"
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touch mu_of_r_potential
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print*,'Using Valence Only functions'
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call test_f_HF_valence_ab
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call routine_full_mos
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call test_f_ii_valence_ab
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call test_f_ia_valence_ab
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call test_f_ii_ia_aa_valence_ab
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call test
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end
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subroutine test
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implicit none
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integer :: i_point
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double precision :: ref, new, accu, weight
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accu = 0.d0
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do i_point = 1, n_points_final_grid
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ref = f_hf_cholesky_sparse(i_point)
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new = f_hf_cholesky_sparse_bis(i_point)
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weight = final_weight_at_r_vector(i_point)
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accu += dabs(ref - new) * weight
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enddo
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print*,'accu = ',accu
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end
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