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Installation
Usage
Reference
GitHub
PyPI
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libcasm.clusterography
equivalents_info_from_dict
make_cluster_group
make_integral_site_coordinate_symgroup_rep
make_local_cluster_group
make_local_cluster_specs
make_local_equivalence_map
make_local_equivalence_map_indices
make_local_orbit
make_periodic_cluster_specs
make_periodic_equivalence_map
make_periodic_equivalence_map_indices
make_periodic_orbit
Cluster
append
copy
from_dict
from_list
is_sorted
site
sites
size
sort
sorted
to_dict
to_index_list
to_index_set
to_list
ClusterOrbitGenerator
from_list
to_dict
include_subclusters
prototype
ClusterSpecs
custom_generators
cutoff_radius
from_dict
generating_group
include_phenomenal_sites
make_orbits
max_length
phenomenal
site_filter_method
to_dict
xtal_prim
libcasm.configuration
apply
config_space_analysis
copy_apply
copy_configuration
copy_transformed_configuration
dof_space_analysis
equivalent_order_parameters_index
from_canonical_configuration
is_canonical_configuration
is_canonical_order_parameters
is_canonical_supercell
is_primitive_configuration
make_all_super_configurations
make_all_super_configurations_by_subsets
make_canonical_configuration
make_canonical_order_parameters
make_canonical_supercell
make_distinct_super_configurations
make_dof_space_rep
make_equivalent_configurations
make_equivalent_supercells
make_global_dof_matrix_rep
make_invariant_subgroup
make_local_dof_matrix_rep
make_primitive_configuration
to_canonical_configuration
ConfigSpaceAnalysisResults
to_dict
eigenvalues
equivalent_configurations
equivalent_dof_values
projector
standard_dof_space
symmetry_adapted_dof_space
Configuration
copy
dof_values_vector
dof_values_vector_contribution
from_dict
from_structure
global_dof_values
global_standard_dof_values
local_dof_site_value
local_dof_values
local_standard_dof_site_value
local_standard_dof_values
make_dof_space
occ
order_parameters
order_parameters_contribution
set_global_dof_values
set_global_standard_dof_values
set_local_dof_site_value
set_local_dof_values
set_local_standard_dof_site_value
set_local_standard_dof_values
set_occ
set_occupation
set_order_parameters
set_standard_dof_values
standard_dof_values
to_dict
to_structure
dof_values
occupation
supercell
ConfigurationRecord
copy
configuration
configuration_id
configuration_name
supercell_name
ConfigurationSet
add
add_configuration
add_record
clear
discard
discard_by_name
discard_configuration
empty
from_dict
get
get_by_name
get_configuration
remove
remove_by_name
remove_configuration
to_dict
ConfigurationWithProperties
copy
from_dict
from_structure
global_property_values
local_property_values
scalar_global_property_value
to_dict
to_structure
configuration
global_properties
local_properties
DoFSpaceAnalysisResults
to_dict
symmetry_adapted_dof_space
symmetry_report
Prim
from_dict
from_json
global_dof_basis
global_dof_basis_inv
global_dof_matrix_rep
local_dof_basis
local_dof_basis_inv
local_dof_matrix_rep
to_dict
to_json
atom_position_symgroup_rep
continuous_magspin_flavor
continuous_magspin_key
crystal_point_group
discrete_atomic_magspin_flavor
discrete_atomic_magspin_key
factor_group
has_anisotropic_occupants
has_occupation_dofs
integral_site_coordinate_symgroup_rep
is_atomic
lattice_point_group
occ_symgroup_rep
xtal_prim
Supercell
coordinate_cart
coordinate_frac
from_dict
integral_site_coordinate
linear_site_index
linear_unitcell_index
linear_unitcell_indices
n_occupants
occ_dof
sub_supercell_index_converter
sublattice_indices
symgroup_rep
to_dict
unitcell_indices
within
factor_group
factor_group_permutations
n_sites
n_unitcells
prim
prim_lattice
site_index_converter
superlattice
transformation_matrix_to_super
translation_permutations
unitcell_index_converter
xtal_prim
SupercellRecord
copy
canonical_supercell_name
is_canonical
supercell
supercell_name
SupercellSet
add
add_by_canonical_name
add_by_transformation_matrix_to_super
add_record
add_supercell
clear
discard
discard_by_canonical_name
discard_by_transformation_matrix_to_super
discard_record
discard_supercell
empty
from_dict
prim
remove
remove_by_canonical_name
remove_by_transformation_matrix_to_super
remove_record
remove_supercell
to_dict
SupercellSymOp
begin
combined_permute
copy
end
inverse
next
permute_index
prim_factor_group_index
supercell
supercell_factor_group_index
to_symop
translation_begin
translation_end
translation_frac
translation_index
libcasm.configuration.io
configuration_list_from_data
configuration_list_to_data
supercell_list_from_data
supercell_list_to_data
symgroup_to_dict_with_group_classification
libcasm.configuration.io.spglib
as_cell
as_lattice
as_magmoms
as_numbers
as_positions
as_rotations
as_time_reversals
as_translations
asdict
get_magnetic_spacegroup_type_from_symmetry
get_magnetic_symmetry_dataset
get_spacegroup_type_from_symmetry
get_symmetry_dataset
libcasm.configuration.io.tools
libcasm.configuration.io.tools.CasmObjectWithLattice
libcasm.configuration.io.tools.CasmObjectWithPositions
as_structure_if_config
get_coordinate_cart
get_coordinate_frac
get_lattice
get_magmoms
get_unique_numbers
libcasm.enumerate
get_occevent_coordinate
irreducible_wedge_points
make_all_distinct_local_perturbations
make_all_distinct_periodic_perturbations
make_distinct_cluster_sites
make_occevent_simple_structures
make_occevent_suborbits
make_phenomenal_occevent
meshgrid_points
ConfigEnumAllOccupations
by_cluster
by_cluster_list
by_integral_site_coordinates
by_linear_site_indices
by_sublattice
by_supercell
by_supercell_list
by_supercell_with_continuous_dof
background
enum_index
prim
sites
supercell_set
ConfigEnumInfo
check
finish
config_enum
configuration_set
curr_enum_index
n_config_before
n_config_total
n_config_excluded
ConfigEnumMeshGrid
by_grid_coordinates
by_irreducible_wedge
by_range
background
dof_space
enum_index
order_parameters
prim
subwedge_index
supercell_set
ScelEnum
by_volume
prim
supercell_set
SuperConfigEnum
by_supercell
prim
supercell_set
libcasm.irreps
IrrepDecomposition
make_symmetry_report
head_group
irreps
matrix_rep
subspace
symmetry_adapted_subspace
IrrepInfo
to_dict
characters
directions
irrep_dim
trans_mat
vector_dim
IrrepWedge
axes
irrep_info
mult
MatrixRepGroup
conjugacy_classes
inv
make_subgroup
mult
elements
head_group
head_group_index
inverse_index
is_subgroup
multiplication_table
SubWedge
irrep_wedges
trans_mat
VectorSpaceSymReport
to_dict
axis_glossary
irreducible_wedge
irrep_axes_indices
irrep_names
irrep_wedge_axes
irreps
matrix_rep
symmetry_adapted_subspace
libcasm.occ_events
get_occevent_coordinate
load_occevent
make_canonical_occevent
make_canonical_prim_periodic_occevents
make_occevent_cluster_specs
make_occevent_group
make_occevent_symgroup_rep
make_occevent_symgroup_rep_from_existing
make_prim_periodic_orbit
save_occevent
OccEvent
cluster
copy
copy_reverse
copy_sort
final_occupation
from_dict
initial_occupation
reverse
size
sort
standardize
to_dict
trajectories
OccEventPrinter
OccEventRep
copy
OccPosition
atom_component
atom_position_index
copy
from_dict
integral_site_coordinate
is_atom
is_in_reservoir
molecule
occupant
occupant_index
to_dict
OccSystem
atom_name_list
chemical_name_list
from_dict
get_atom_name
get_cartesian_coordinate
get_chemical_index
get_chemical_name
get_occupant
get_orientation_index
get_orientation_name
is_indivisible
is_vacancy
is_vacancy_list
orientation_name_list
to_dict
xtal_prim
libcasm.sym_info
make_factor_group
make_point_group
SymGroup
brief_cart
brief_frac
conjugacy_classes
from_dict
from_elements
inv
make_subgroup
mult
to_dict
elements
head_group
head_group_index
inverse_index
is_subgroup
multiplication_table
Reference (libcasm-configuration)
SuperConfigEnum
prim
prim
#
property
SuperConfigEnum.
prim
:
Prim
#
The Prim
On this page
SuperConfigEnum.prim
Show Source