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22 lines
365 B
Fortran
22 lines
365 B
Fortran
BEGIN_PROVIDER [ real, mo_value_p, (mo_tot_num) ]
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implicit none
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BEGIN_DOC
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! Values of the molecular orbitals
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END_DOC
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integer :: i, j, k
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do j=1,mo_num
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mo_value_p(j) = 0.
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enddo
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do k=1,ao_num
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do j=1,mo_num
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mo_value_p(j) = mo_value_p(j)+mo_coef_transp(j,k)*ao_value_p(k)
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enddo
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enddo
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END_PROVIDER
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