quantum_package/src/MOGuess/h_core_guess_routine.irp.f

subroutine hcore_guess
  BEGIN_DOC
! Produce `H_core` MO orbital
  END_DOC
  implicit none
  character*(64)                 :: label
  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,1)
  print *,  'save mos'
  call save_mos
  SOFT_TOUCH mo_coef mo_label
end
Fix README and graphiz 2015-07-16 10:40:57 +02:00			`subroutine hcore_guess`
			`BEGIN_DOC`
			! Produce `H_core` MO orbital
			`END_DOC`
			`implicit none`
			`character*(64) :: label`
			`label = "Guess"`
			`call mo_as_eigvectors_of_mo_matrix(mo_mono_elec_integral, &`
			`size(mo_mono_elec_integral,1), &`
Eigenvalues are now printed with the correct sign 2015-11-26 15:00:02 +01:00			`size(mo_mono_elec_integral,2),label,1)`
Fix README and graphiz 2015-07-16 10:40:57 +02:00			`print *, 'save mos'`
			`call save_mos`
			`SOFT_TOUCH mo_coef mo_label`
			`end`