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15 lines
493 B
Fortran
15 lines
493 B
Fortran
subroutine hcore_guess
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BEGIN_DOC
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! Produce `H_core` MO orbital
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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_one_e_integrals, &
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size(mo_one_e_integrals,1), &
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size(mo_one_e_integrals,2),label,1,.true.)
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call nullify_small_elements(ao_num, mo_num, mo_coef, size(mo_coef,1), 1.d-12 )
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call save_mos
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TOUCH mo_coef mo_label
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end
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