ETSF_IO library - documentation pages

### TABLE OF CONTENTS

- etsf_io_data_get

## etsf_io_data_get

[ Top ] [ etsf_io_data_group ] [ Methods ]

NAME

etsf_io_data_get

FUNCTION

This is a query routine to get informations about a variable when its name is given. It does not interact with any files and is just a Firtran version of the specifications.

INPUTS

- varname = the name of a variable, to know if it is part of ETSF or not.

OUTPUT

- etsf_group = this integer is a flag corresponding to the group in which the given @varname is defined.
- etsf_variable =
- etsf_split = this logical is .true. if @varname is a valid split name.

NOTES

This file has been automatically generated by the autogen_subroutines.py script. Any change you would bring to it will systematically be overwritten.

SOURCE

    subroutine etsf_io_data_get(etsf_group, etsf_variable, etsf_split, varname)

      !Arguments ------------------------------------
      integer, intent(out) :: etsf_group
      integer, intent(out) :: etsf_variable
      logical, intent(out) :: etsf_split
      character(len=*), intent(in) :: varname
      !Local variables-------------------------------
      character(len=*),parameter :: my_name = 'etsf_io_data_get'
      integer :: ncid, i

      ! *************************************************************************

    !DEBUG
    !write (*,*) 'etsf_io_data_get : enter'
    !ENDDEBUG

      etsf_group = etsf_grp_none
      etsf_variable = 0
      etsf_split = .false.
      if (trim(varname) == "gw_corrections") then
        etsf_group = etsf_grp_gwdata
        etsf_variable = etsf_gwdata_gw_corrections
      else if (trim(varname) == "kb_formfactor_sign") then
        etsf_group = etsf_grp_gwdata
        etsf_variable = etsf_gwdata_kb_coeff_sig
      else if (trim(varname) == "kb_formfactors") then
        etsf_group = etsf_grp_gwdata
        etsf_variable = etsf_gwdata_kb_coeff
      else if (trim(varname) == "kb_formfactor_derivative") then
        etsf_group = etsf_grp_gwdata
        etsf_variable = etsf_gwdata_kb_coeff_der
      else if (trim(varname) == "space_group") then
        etsf_group = etsf_grp_geometry
        etsf_variable = etsf_geometry_space_group
      else if (trim(varname) == "primitive_vectors") then
        etsf_group = etsf_grp_geometry
        etsf_variable = etsf_geometry_primitive_vectors
      else if (trim(varname) == "reduced_symmetry_matrices") then
        etsf_group = etsf_grp_geometry
        etsf_variable = etsf_geometry_red_sym_matrices
      else if (trim(varname) == "reduced_symmetry_translations") then
        etsf_group = etsf_grp_geometry
        etsf_variable = etsf_geometry_red_sym_trans
      else if (trim(varname) == "atom_species") then
        etsf_group = etsf_grp_geometry
        etsf_variable = etsf_geometry_atom_species
      else if (trim(varname) == "reduced_atom_positions") then
        etsf_group = etsf_grp_geometry
        etsf_variable = etsf_geometry_red_at_pos
      else if (trim(varname) == "valence_charges") then
        etsf_group = etsf_grp_geometry
        etsf_variable = etsf_geometry_valence_charges
      else if (trim(varname) == "atomic_numbers") then
        etsf_group = etsf_grp_geometry
        etsf_variable = etsf_geometry_atomic_numbers
      else if (trim(varname) == "atom_species_names") then
        etsf_group = etsf_grp_geometry
        etsf_variable = etsf_geometry_atom_species_names
      else if (trim(varname) == "chemical_symbols") then
        etsf_group = etsf_grp_geometry
        etsf_variable = etsf_geometry_chemical_symbols
      else if (trim(varname) == "pseudopotential_types") then
        etsf_group = etsf_grp_geometry
        etsf_variable = etsf_geometry_pseudo_types
      else if (trim(varname) == "kpoint_grid_shift") then
        etsf_group = etsf_grp_kpoints
        etsf_variable = etsf_kpoints_kpoint_grid_shift
      else if (trim(varname) == "kpoint_grid_vectors") then
        etsf_group = etsf_grp_kpoints
        etsf_variable = etsf_kpoints_kpoint_grid_vectors
      else if (trim(varname) == "monkhorst_pack_folding") then
        etsf_group = etsf_grp_kpoints
        etsf_variable = etsf_kpoints_mp_folding
      else if (trim(varname) == "reduced_coordinates_of_kpoints") then
        etsf_group = etsf_grp_kpoints
        etsf_variable = etsf_kpoints_red_coord_kpt
      else if (trim(varname) == "kpoint_weights") then
        etsf_group = etsf_grp_kpoints
        etsf_variable = etsf_kpoints_kpoint_weights
      else if (trim(varname) == "basis_set") then
        etsf_group = etsf_grp_basisdata
        etsf_variable = etsf_basisdata_basis_set
      else if (trim(varname) == "kinetic_energy_cutoff") then
        etsf_group = etsf_grp_basisdata
        etsf_variable = etsf_basisdata_kin_cutoff
      else if (trim(varname) == "number_of_coefficients") then
        etsf_group = etsf_grp_basisdata
        etsf_variable = etsf_basisdata_n_coeff
      else if (trim(varname) == "reduced_coordinates_of_plane_waves") then
        etsf_group = etsf_grp_basisdata
        etsf_variable = etsf_basisdata_red_coord_pw
      else if (trim(varname) == "coordinates_of_basis_grid_points") then
        etsf_group = etsf_grp_basisdata
        etsf_variable = etsf_basisdata_coord_grid
      else if (trim(varname) == "number_of_coefficients_per_grid_point") then
        etsf_group = etsf_grp_basisdata
        etsf_variable = etsf_basisdata_n_coeff_grid
      else if (trim(varname) == "number_of_electrons") then
        etsf_group = etsf_grp_electrons
        etsf_variable = etsf_electrons_number_of_electrons
      else if (trim(varname) == "exchange_functional") then
        etsf_group = etsf_grp_electrons
        etsf_variable = etsf_electrons_x_functional
      else if (trim(varname) == "correlation_functional") then
        etsf_group = etsf_grp_electrons
        etsf_variable = etsf_electrons_c_functional
      else if (trim(varname) == "fermi_energy") then
        etsf_group = etsf_grp_electrons
        etsf_variable = etsf_electrons_fermi_energy
      else if (trim(varname) == "smearing_scheme") then
        etsf_group = etsf_grp_electrons
        etsf_variable = etsf_electrons_smearing_scheme
      else if (trim(varname) == "smearing_width") then
        etsf_group = etsf_grp_electrons
        etsf_variable = etsf_electrons_smearing_width
      else if (trim(varname) == "number_of_states") then
        etsf_group = etsf_grp_electrons
        etsf_variable = etsf_electrons_number_of_states
      else if (trim(varname) == "eigenvalues") then
        etsf_group = etsf_grp_electrons
        etsf_variable = etsf_electrons_eigenvalues
      else if (trim(varname) == "occupations") then
        etsf_group = etsf_grp_electrons
        etsf_variable = etsf_electrons_occupations
      else if (trim(varname) == "density") then
        etsf_group = etsf_grp_main
        etsf_variable = etsf_main_density
      else if (trim(varname) == "exchange_potential") then
        etsf_group = etsf_grp_main
        etsf_variable = etsf_main_pot_x_only
      else if (trim(varname) == "correlation_potential") then
        etsf_group = etsf_grp_main
        etsf_variable = etsf_main_pot_c_only
      else if (trim(varname) == "exchange_correlation_potential") then
        etsf_group = etsf_grp_main
        etsf_variable = etsf_main_pot_xc
      else if (trim(varname) == "coefficients_of_wavefunctions") then
        etsf_group = etsf_grp_main
        etsf_variable = etsf_main_wfs_coeff
      else if (trim(varname) == "real_space_wavefunctions") then
        etsf_group = etsf_grp_main
        etsf_variable = etsf_main_wfs_rsp
      else if (trim(varname) == "frequencies_dielectric_function") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_frequencies
      else if (trim(varname) == "qpoints_dielectric_function") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_qpt
      else if (trim(varname) == "qpoints_gamma_limit") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_qpt_g_lim
      else if (trim(varname) == "dielectric_function") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_function
      else if (trim(varname) == "dielectric_function_head") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_function_head
      else if (trim(varname) == "dielectric_function_lower_wing") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_function_lower
      else if (trim(varname) == "dielectric_function_upper_wing") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_function_upper
      else if (trim(varname) == "inverse_dielectric_function") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_function_inv
      else if (trim(varname) == "inverse_dielectric_function_head") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_function_inv_head
      else if (trim(varname) == "inverse_dielectric_function_lower_wing") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_function_inv_lower
      else if (trim(varname) == "inverse_dielectric_function_upper_wing") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_function_inv_upper
      else if (trim(varname) == "polarizability") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_polarizability
      else if (trim(varname) == "polarizability_head") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_pol_head
      else if (trim(varname) == "polarizability_lower_wing") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_pol_lower
      else if (trim(varname) == "polarizability_upper_wing") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_pol_upper
      else if (trim(varname) == "inverse_polarizability") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_polarizability_inv
      else if (trim(varname) == "inverse_polarizability_head") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_pol_inv_head
      else if (trim(varname) == "inverse_polarizability_lower_wing") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_pol_inv_lower
      else if (trim(varname) == "inverse_polarizability_upper_wing") then
        etsf_group = etsf_grp_dielectric
        etsf_variable = etsf_dielectric_pol_inv_upper
      else if (trim(varname) == "my_kpoints") then
        etsf_split = .true.
      else if (trim(varname) == "my_grid_points_vector3") then
        etsf_split = .true.
      else if (trim(varname) == "my_spins") then
        etsf_split = .true.
      else if (trim(varname) == "my_grid_points_vector1") then
        etsf_split = .true.
      else if (trim(varname) == "my_grid_points_vector2") then
        etsf_split = .true.
      else if (trim(varname) == "my_coefficients") then
        etsf_split = .true.
      else if (trim(varname) == "my_components") then
        etsf_split = .true.
      else if (trim(varname) == "my_states") then
        etsf_split = .true.
      end if

    !DEBUG
    !write (*,*) 'etsf_io_data_get : exit'
    !ENDDEBUG

    end subroutine etsf_io_data_get