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quantum_package/src/MOGuess/H_CORE_guess.irp.f

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2014-04-17 23:50:51 +02:00
program H_CORE_guess
implicit none
character*(64) :: label
mo_coef = ao_ortho_lowdin_coef
TOUCH mo_coef
label = "H_CORE_GUESS"
call mo_as_eigvectors_of_mo_matrix(mo_mono_elec_integral,size(mo_mono_elec_integral,1),size(mo_mono_elec_integral,2),label)
call save_mos
end