2019-01-25 11:39:31 +01:00
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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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2020-02-12 01:23:34 +01:00
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if (is_complex) then
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2020-01-29 00:25:34 +01:00
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call mo_as_eigvectors_of_mo_matrix_complex(mo_one_e_integrals_complex, &
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size(mo_one_e_integrals_complex,1), &
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size(mo_one_e_integrals_complex,2),label,1,.false.)
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call save_mos
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SOFT_TOUCH mo_coef_complex mo_label
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else
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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,.false.)
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call save_mos
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SOFT_TOUCH mo_coef mo_label
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endif
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2019-01-25 11:39:31 +01:00
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end
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