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quantum_package/src/Electrons/electrons.irp.f

30 lines
967 B
Fortran

BEGIN_PROVIDER [ integer, elec_alpha_num ]
&BEGIN_PROVIDER [ integer, elec_beta_num ]
&BEGIN_PROVIDER [ integer, elec_num ]
&BEGIN_PROVIDER [ integer, elec_num_tab, (2) ]
implicit none
BEGIN_DOC
! Numbers of alpha ("up") , beta ("down") and total electrons
END_DOC
PROVIDE ezfio_filename
call ezfio_get_electrons_elec_alpha_num(elec_alpha_num)
call ezfio_get_electrons_elec_beta_num(elec_beta_num)
call ezfio_get_electrons_elec_num(elec_num)
elec_num_tab(1) = elec_alpha_num
elec_num_tab(2) = elec_beta_num
ASSERT (elec_alpha_num > 0)
ASSERT (elec_beta_num >= 0)
call write_time(output_Electrons)
call write_int(output_Electrons,elec_num, &
'Number of electrons' )
call write_int(output_Electrons,elec_alpha_num, &
'Number of alpha electrons' )
call write_int(output_Electrons,elec_beta_num, &
'Number of beta electrons' )
write(output_Electrons,*)
END_PROVIDER