Fixed HCore guess with spherical MOs
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@ -49,7 +49,6 @@ subroutine create_guess
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if (.not.exists) then
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if (.not.exists) then
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mo_label = 'Guess'
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mo_label = 'Guess'
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if (mo_guess_type == "HCore") then
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if (mo_guess_type == "HCore") then
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mo_coef = ao_ortho_lowdin_coef
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call restore_symmetry(ao_num,mo_num,mo_coef,size(mo_coef,1),1.d-10)
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call restore_symmetry(ao_num,mo_num,mo_coef,size(mo_coef,1),1.d-10)
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TOUCH mo_coef
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TOUCH mo_coef
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call mo_as_eigvectors_of_mo_matrix(mo_one_e_integrals, &
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call mo_as_eigvectors_of_mo_matrix(mo_one_e_integrals, &
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