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https://github.com/LCPQ/quantum_package
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28 lines
491 B
Fortran
28 lines
491 B
Fortran
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program print_OVB
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implicit none
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read_wf = .True.
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call provide_all
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end
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subroutine provide_all
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implicit none
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integer :: i,j,k,l,istate
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do istate= 1, N_states
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print*,'-------------------'
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print*,'ISTATE = ',istate
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print*,'-------------------'
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print*,'CAS MATRIX '
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print*,''
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do i = min_number_ionic,max_number_ionic
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write(*,'(I4,X,10(F8.5 ,4X))')i, H_OVB_naked(i,:,istate)
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enddo
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print*,''
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print*,'-------------------'
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print*,'-------------------'
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enddo
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end
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