2014-04-17 23:50:51 +02:00
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program H_CORE_guess
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2015-07-03 15:07:24 +02:00
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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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2014-04-17 23:50:51 +02:00
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implicit none
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character*(64) :: label
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2014-10-30 12:08:18 +01:00
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label = "Guess"
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2015-03-20 11:21:26 +01:00
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call mo_as_eigvectors_of_mo_matrix(mo_mono_elec_integral, &
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2015-07-03 15:07:24 +02:00
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size(mo_mono_elec_integral,1), &
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2015-11-26 15:00:02 +01:00
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size(mo_mono_elec_integral,2),label,1)
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2015-01-06 19:12:17 +01:00
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print *, 'save mos'
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2014-04-17 23:50:51 +02:00
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call save_mos
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end
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