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15 lines
400 B
Fortran
15 lines
400 B
Fortran
program guess_mimi
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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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mo_coef = ao_ortho_lowdin_coef
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TOUCH mo_coef
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label = "Guess"
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call mo_as_eigvectors_of_mo_matrix(-ao_overlap, &
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size(ao_overlap,1), &
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size(ao_overlap,2),label)
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call save_mos
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end
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