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16 lines
512 B
Fortran
16 lines
512 B
Fortran
program H_CORE_guess
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BEGIN_DOC
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! Produce `H_core` MO orbital
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! output: mo_basis.mo_tot_num mo_basis.mo_label mo_basis.ao_md5 mo_basis.mo_coef mo_basis.mo_occ
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END_DOC
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implicit none
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character*(64) :: label
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label = "Guess"
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call mo_as_eigvectors_of_mo_matrix(mo_mono_elec_integral, &
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size(mo_mono_elec_integral,1), &
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size(mo_mono_elec_integral,2),label,1)
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print *, 'save mos'
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call save_mos
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end
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