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Merge branch 'master' of github.com:scemama/quantum_package
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commit
30235b45a1
@ -23,7 +23,7 @@ subroutine create_guess
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mo_coef = ao_ortho_lowdin_coef
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mo_coef = ao_ortho_lowdin_coef
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TOUCH mo_coef
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TOUCH mo_coef
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mo_label = 'Guess'
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mo_label = 'Guess'
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call mo_as_eigvectors_of_mo_matrix(mo_mono_elec_integral,size(mo_mono_elec_integral,1),size(mo_mono_elec_integral,2),mo_label,.false.)
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call mo_as_eigvectors_of_mo_matrix(mo_mono_elec_integral,size(mo_mono_elec_integral,1),size(mo_mono_elec_integral,2),mo_label,1,.false.)
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SOFT_TOUCH mo_coef mo_label
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SOFT_TOUCH mo_coef mo_label
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else if (mo_guess_type == "Huckel") then
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else if (mo_guess_type == "Huckel") then
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call huckel_guess
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call huckel_guess
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