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nomad-lab
parser-elk
Commits
a6dbd8ce
Commit
a6dbd8ce
authored
Mar 19, 2020
by
Markus Scheidgen
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Added metainfo python code.
parent
d08b1f7f
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elkparser/metainfo/__init__.py
elkparser/metainfo/__init__.py
+13
-0
elkparser/metainfo/elk.py
elkparser/metainfo/elk.py
+779
-0
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elkparser/metainfo/__init__.py
0 → 100644
View file @
a6dbd8ce
import
sys
from
nomad.metainfo
import
Environment
from
nomad.metainfo.legacy
import
LegacyMetainfoEnvironment
import
elkparser.metainfo.elk
import
nomad.datamodel.metainfo.common
import
nomad.datamodel.metainfo.public
import
nomad.datamodel.metainfo.general
m_env
=
LegacyMetainfoEnvironment
()
m_env
.
m_add_sub_section
(
Environment
.
packages
,
sys
.
modules
[
'elkparser.metainfo.elk'
].
m_package
)
# type: ignore
m_env
.
m_add_sub_section
(
Environment
.
packages
,
sys
.
modules
[
'nomad.datamodel.metainfo.common'
].
m_package
)
# type: ignore
m_env
.
m_add_sub_section
(
Environment
.
packages
,
sys
.
modules
[
'nomad.datamodel.metainfo.public'
].
m_package
)
# type: ignore
m_env
.
m_add_sub_section
(
Environment
.
packages
,
sys
.
modules
[
'nomad.datamodel.metainfo.general'
].
m_package
)
# type: ignore
elkparser/metainfo/elk.py
0 → 100644
View file @
a6dbd8ce
import
numpy
as
np
# pylint: disable=unused-import
import
typing
# pylint: disable=unused-import
from
nomad.metainfo
import
(
# pylint: disable=unused-import
MSection
,
MCategory
,
Category
,
Package
,
Quantity
,
Section
,
SubSection
,
SectionProxy
,
Reference
)
from
nomad.metainfo.legacy
import
LegacyDefinition
from
nomad.datamodel.metainfo
import
public
m_package
=
Package
(
name
=
'elk_nomadmetainfo_json'
,
description
=
'None'
,
a_legacy
=
LegacyDefinition
(
name
=
'elk.nomadmetainfo.json'
))
class
x_elk_section_lattice_vectors
(
MSection
):
'''
lattice vectors
'''
m_def
=
Section
(
validate
=
False
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_section_lattice_vectors'
))
x_elk_geometry_lattice_vector_x
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'meter'
,
description
=
'''
x component of lattice vector
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_geometry_lattice_vector_x'
))
x_elk_geometry_lattice_vector_y
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'meter'
,
description
=
'''
y component of lattice vector
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_geometry_lattice_vector_y'
))
x_elk_geometry_lattice_vector_z
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'meter'
,
description
=
'''
z component of lattice vector
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_geometry_lattice_vector_z'
))
class
x_elk_section_reciprocal_lattice_vectors
(
MSection
):
'''
reciprocal lattice vectors
'''
m_def
=
Section
(
validate
=
False
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_section_reciprocal_lattice_vectors'
))
x_elk_geometry_reciprocal_lattice_vector_x
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'1 / meter'
,
description
=
'''
x component of reciprocal lattice vector
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_geometry_reciprocal_lattice_vector_x'
))
x_elk_geometry_reciprocal_lattice_vector_y
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'1 / meter'
,
description
=
'''
y component of reciprocal lattice vector
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_geometry_reciprocal_lattice_vector_y'
))
x_elk_geometry_reciprocal_lattice_vector_z
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'1 / meter'
,
description
=
'''
z component of reciprocal lattice vector
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_geometry_reciprocal_lattice_vector_z'
))
class
x_elk_section_atoms_group
(
MSection
):
'''
a group of atoms of the same type
'''
m_def
=
Section
(
validate
=
False
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_section_atoms_group'
))
x_elk_geometry_atom_labels
=
Quantity
(
type
=
str
,
shape
=
[],
description
=
'''
labels of atom
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_geometry_atom_labels'
))
x_elk_geometry_atom_number
=
Quantity
(
type
=
str
,
shape
=
[],
description
=
'''
number to identify the atoms of a species
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_geometry_atom_number'
))
x_elk_geometry_atom_positions_x
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'meter'
,
description
=
'''
x component of atomic position
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_geometry_atom_positions_x'
))
x_elk_geometry_atom_positions_y
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'meter'
,
description
=
'''
y component of atomic position
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_geometry_atom_positions_y'
))
x_elk_geometry_atom_positions_z
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'meter'
,
description
=
'''
z component of atomic position
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_geometry_atom_positions_z'
))
class
x_elk_section_spin
(
MSection
):
'''
section for exciting spin treatment
'''
m_def
=
Section
(
validate
=
False
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_section_spin'
))
x_elk_spin_treatment
=
Quantity
(
type
=
str
,
shape
=
[],
description
=
'''
Spin treatment
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_spin_treatment'
))
class
x_elk_section_xc
(
MSection
):
'''
index for elk functional
'''
m_def
=
Section
(
validate
=
False
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_section_xc'
))
x_elk_xc_functional
=
Quantity
(
type
=
np
.
dtype
(
np
.
int32
),
shape
=
[],
description
=
'''
index for elk functional
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_xc_functional'
))
class
section_system
(
public
.
section_system
):
m_def
=
Section
(
validate
=
False
,
extends_base_section
=
True
,
a_legacy
=
LegacyDefinition
(
name
=
'section_system'
))
x_elk_brillouin_zone_volume
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'1 / meter ** 3'
,
description
=
'''
Brillouin zone volume
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_brillouin_zone_volume'
))
x_elk_simulation_reciprocal_cell
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[
3
,
3
],
unit
=
'meter'
,
description
=
'''
Reciprocal lattice vectors of the simulation cell.
'''
,
categories
=
[
public
.
configuration_core
],
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_simulation_reciprocal_cell'
))
x_elk_unit_cell_volume
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'meter ** 3'
,
description
=
'''
unit cell volume
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_unit_cell_volume'
))
x_elk_muffin_tin_radius
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'meter'
,
description
=
'''
muffin-tin radius
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_muffin_tin_radius'
))
x_elk_muffin_tin_points
=
Quantity
(
type
=
np
.
dtype
(
np
.
int32
),
shape
=
[],
description
=
'''
muffin-tin points
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_muffin_tin_points'
))
x_elk_number_kpoint_x
=
Quantity
(
type
=
np
.
dtype
(
np
.
int32
),
shape
=
[],
description
=
'''
number k-points x
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_number_kpoint_x'
))
x_elk_number_kpoint_y
=
Quantity
(
type
=
np
.
dtype
(
np
.
int32
),
shape
=
[],
description
=
'''
number k-points y
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_number_kpoint_y'
))
x_elk_number_kpoint_z
=
Quantity
(
type
=
np
.
dtype
(
np
.
int32
),
shape
=
[],
description
=
'''
number k-points z
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_number_kpoint_z'
))
x_elk_number_kpoints
=
Quantity
(
type
=
np
.
dtype
(
np
.
int32
),
shape
=
[],
description
=
'''
number k-points
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_number_kpoints'
))
x_elk_kpoint_offset_x
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
description
=
'''
K-points offset x component
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_kpoint_offset_x'
))
x_elk_kpoint_offset_y
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
description
=
'''
K-points offset y component
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_kpoint_offset_y'
))
x_elk_kpoint_offset_z
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
description
=
'''
K-points offset z component
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_kpoint_offset_z'
))
x_elk_rgkmax
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'meter'
,
description
=
'''
Radius MT * Gmax
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_rgkmax'
))
x_elk_gvector_size_x
=
Quantity
(
type
=
np
.
dtype
(
np
.
int32
),
shape
=
[],
description
=
'''
G-vector grid size x
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_gvector_size_x'
))
x_elk_gvector_size_y
=
Quantity
(
type
=
np
.
dtype
(
np
.
int32
),
shape
=
[],
description
=
'''
G-vector grid size y
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_gvector_size_y'
))
x_elk_gvector_size_z
=
Quantity
(
type
=
np
.
dtype
(
np
.
int32
),
shape
=
[],
description
=
'''
G-vector grid size z
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_gvector_size_z'
))
x_elk_gvector_total
=
Quantity
(
type
=
np
.
dtype
(
np
.
int32
),
shape
=
[],
description
=
'''
G-vector total
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_gvector_total'
))
x_elk_lmaxapw
=
Quantity
(
type
=
np
.
dtype
(
np
.
int32
),
shape
=
[],
description
=
'''
Angular momentum cut-off for the APW functions
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_lmaxapw'
))
x_elk_gkmax
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'1 / meter'
,
description
=
'''
Maximum length of |G+k| for APW functions
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_gkmax'
))
x_elk_smearing_width
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
description
=
'''
Smearing width for KS occupancies
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_smearing_width'
))
x_elk_lo
=
Quantity
(
type
=
np
.
dtype
(
np
.
int32
),
shape
=
[],
description
=
'''
Total number of local-orbitals
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_lo'
))
x_elk_gmaxvr
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'1 / meter'
,
description
=
'''
Maximum length of |G|
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_gmaxvr'
))
x_elk_valence_states
=
Quantity
(
type
=
np
.
dtype
(
np
.
int32
),
shape
=
[],
description
=
'''
Total number of valence states
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_valence_states'
))
x_elk_core_states
=
Quantity
(
type
=
np
.
dtype
(
np
.
int32
),
shape
=
[],
description
=
'''
Total number of core states
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_core_states'
))
x_elk_empty_states
=
Quantity
(
type
=
np
.
dtype
(
np
.
int32
),
shape
=
[],
description
=
'''
Number of empty states
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_empty_states'
))
x_elk_wigner_radius
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'meter'
,
description
=
'''
Effective Wigner radius
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_wigner_radius'
))
x_elk_electronic_charge
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
description
=
'''
Electronic charge
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_electronic_charge'
))
x_elk_valence_charge
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
description
=
'''
Valence charge
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_valence_charge'
))
x_elk_nuclear_charge
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
description
=
'''
Nuclear charge
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_nuclear_charge'
))
x_elk_core_charge
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
description
=
'''
Core charge
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_core_charge'
))
x_elk_section_lattice_vectors
=
SubSection
(
sub_section
=
SectionProxy
(
'x_elk_section_lattice_vectors'
),
repeats
=
True
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_section_lattice_vectors'
))
x_elk_section_reciprocal_lattice_vectors
=
SubSection
(
sub_section
=
SectionProxy
(
'x_elk_section_reciprocal_lattice_vectors'
),
repeats
=
True
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_section_reciprocal_lattice_vectors'
))
x_elk_section_atoms_group
=
SubSection
(
sub_section
=
SectionProxy
(
'x_elk_section_atoms_group'
),
repeats
=
True
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_section_atoms_group'
))
x_elk_section_spin
=
SubSection
(
sub_section
=
SectionProxy
(
'x_elk_section_spin'
),
repeats
=
True
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_section_spin'
))
x_elk_section_xc
=
SubSection
(
sub_section
=
SectionProxy
(
'x_elk_section_xc'
),
repeats
=
True
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_section_xc'
))
class
section_scf_iteration
(
public
.
section_scf_iteration
):
m_def
=
Section
(
validate
=
False
,
extends_base_section
=
True
,
a_legacy
=
LegacyDefinition
(
name
=
'section_scf_iteration'
))
x_elk_core_charge_scf_iteration
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
description
=
'''
Core charge scf iteration
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_core_charge_scf_iteration'
))
x_elk_valence_charge_scf_iteration
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
description
=
'''
Valence charge scf iteration
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_valence_charge_scf_iteration'
))
x_elk_interstitial_charge_scf_iteration
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
description
=
'''
Interstitial charge scf iteration
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_interstitial_charge_scf_iteration'
))
x_elk_fermi_energy_scf_iteration
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'joule'
,
description
=
'''
Fermi energy
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_fermi_energy_scf_iteration'
))
x_elk_core_electron_kinetic_energy_scf_iteration
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'joule'
,
description
=
'''
Core-electron kinetic energy
'''
,
categories
=
[
public
.
energy_value
,
public
.
energy_component
],
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_core_electron_kinetic_energy_scf_iteration'
))
x_elk_coulomb_energy_scf_iteration
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'joule'
,
description
=
'''
Coulomb energy
'''
,
categories
=
[
public
.
energy_value
,
public
.
energy_component
],
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_coulomb_energy_scf_iteration'
))
x_elk_coulomb_potential_energy_scf_iteration
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'joule'
,
description
=
'''
Coulomb potential energy
'''
,
categories
=
[
public
.
energy_value
,
public
.
energy_component
],
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_coulomb_potential_energy_scf_iteration'
))
x_elk_nuclear_nuclear_energy_scf_iteration
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'joule'
,
description
=
'''
Nuclear-nuclear energy
'''
,
categories
=
[
public
.
energy_value
,
public
.
energy_component
],
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_nuclear_nuclear_energy_scf_iteration'
))
x_elk_electron_nuclear_energy_scf_iteration
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'joule'
,
description
=
'''
Electron-nuclear energy
'''
,
categories
=
[
public
.
energy_value
,
public
.
energy_component
],
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_electron_nuclear_energy_scf_iteration'
))
x_elk_hartree_energy_scf_iteration
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'joule'
,
description
=
'''
Hartree energy
'''
,
categories
=
[
public
.
energy_value
,
public
.
energy_component
],
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_hartree_energy_scf_iteration'
))
x_elk_madelung_energy_scf_iteration
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'joule'
,
description
=
'''
Madelung energy
'''
,
categories
=
[
public
.
energy_value
,
public
.
energy_component
],
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_madelung_energy_scf_iteration'
))
x_elk_exchange_energy_scf_iteration
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'joule'
,
description
=
'''
Exchange energy
'''
,
categories
=
[
public
.
energy_value
,
public
.
energy_component
],
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_exchange_energy_scf_iteration'
))
x_elk_correlation_energy_scf_iteration
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'joule'
,
description
=
'''
Correlation energy
'''
,
categories
=
[
public
.
energy_value
,
public
.
energy_component
],
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_correlation_energy_scf_iteration'
))
x_elk_electron_entropic_energy_scf_iteration
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'joule'
,
description
=
'''
Electron entropic energy
'''
,
categories
=
[
public
.
energy_value
,
public
.
energy_component
],
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_electron_entropic_energy_scf_iteration'
))
x_elk_dos_fermi_scf_iteration
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'1 / joule'
,
description
=
'''
DOS at Fermi energy
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_dos_fermi_scf_iteration'
))
x_elk_direct_gap_scf_iteration
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'joule'
,
description
=
'''
Estimated fundamental direct gap
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_direct_gap_scf_iteration'
))
x_elk_indirect_gap_scf_iteration
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
unit
=
'joule'
,
description
=
'''
Estimated fundamental indirect gap
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_indirect_gap_scf_iteration'
))
class
section_single_configuration_calculation
(
public
.
section_single_configuration_calculation
):
m_def
=
Section
(
validate
=
False
,
extends_base_section
=
True
,
a_legacy
=
LegacyDefinition
(
name
=
'section_single_configuration_calculation'
))
x_elk_core_charge_final
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
description
=
'''
Core charge final
'''
,
a_legacy
=
LegacyDefinition
(
name
=
'x_elk_core_charge_final'
))
x_elk_valence_charge_final
=
Quantity
(
type
=
np
.
dtype
(
np
.
float64
),
shape
=
[],
description
=
'''