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https://github.com/LCPQ/quantum_package
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25 lines
491 B
Fortran
25 lines
491 B
Fortran
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program pouet
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print*,'coucou'
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read_wf = .True.
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touch read_wf
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print*,'m_knowles = ',m_knowles
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call routine
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end
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subroutine routine
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implicit none
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integer :: i
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double precision :: accu(2)
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accu = 0.d0
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do i = 1, nucl_num
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accu(1) += integral_density_alpha_knowles_becke_per_atom(i)
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accu(2) += integral_density_beta_knowles_becke_per_atom(i)
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enddo
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print*,'accu(1) = ',accu(1)
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print*,'Nalpha = ',elec_alpha_num
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print*,'accu(2) = ',accu(2)
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print*,'Nalpha = ',elec_beta_num
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end
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