quantum_package/src/MOGuess/H_CORE_guess.irp.f

program H_CORE_guess
  implicit none
  character*(64)                 :: label
  mo_coef = ao_ortho_lowdin_coef
  TOUCH mo_coef
  label = "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)
  print *,  'save mos'
  call save_mos
  
end
Added Bi-electronic integrals module 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`
Added ~mo_tot_num in MO_number.of_int 2014-10-30 12:08:18 +01:00			`label = "Guess"`
Added Huckel guess and fixed compatibility with new EMSL 2015-03-20 11:21:26 +01:00			`call mo_as_eigvectors_of_mo_matrix(mo_mono_elec_integral, &`
			`size(mo_mono_elec_integral,1),size(mo_mono_elec_integral,2),label)`
save energy in ezfio 2015-01-06 19:12:17 +01:00			`print *, 'save mos'`
Added Bi-electronic integrals module 2014-04-17 23:50:51 +02:00			`call save_mos`

			`end`