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libcasm-clexulator
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Installation
Usage
Reference
Bibliography
GitHub
PyPI
Section Navigation
libcasm.clexulator
calc_local_correlations
calc_order_parameters
calc_per_unitcell_correlations
from_standard_values
make_clexulator
make_cluster_expansion
make_default_config_dof_values
make_default_prim_neighbor_list
make_default_standard_config_dof_values
make_local_clexulator
to_standard_values
Clexulator
n_functions
n_point_corr
n_sublattices
nlist_size
sublat_indices
weight_matrix
ClusterExpansion
coefficients
correlations
global_delta_value
local_delta_value
multi_occ_delta_value
occ_delta_value
per_supercell
per_unitcell
required_update_neighborhood
set
ClusterExpansionInfo
prim_neighbor_list
supercell_neighbor_list
clexulator
config_dof_values
ConfigDoFValues
from_dict
global_dof_keys
global_dof_values
insert_or_assign_global_dof_values
insert_or_assign_local_dof_values
local_dof_keys
local_dof_site_value
local_dof_values
occ
occupation
set
set_global_dof_values
set_local_dof_site_value
set_local_dof_values
set_occ
set_occupation
to_dict
Correlations
all_points
all_points_site_indices
contribution
corr_size
global_delta
grad_correlations
has_point
indices
local_delta
multi_occ_delta
occ_delta
per_supercell
per_unitcell
point
required_update_neighborhood
set
DoFSpace
from_dict
to_dict
axis_info
basis
basis_inv
dof_key
is_global
prim
site_indices
subspace_dim
transformation_matrix_to_super
DoFSpaceAxisInfo
basis_row_index
dof_component_index
glossary
linear_site_index
LocalClexulator
n_equivalents
n_functions
LocalClusterExpansion
coefficients
correlations
required_update_neighborhood
set
value
LocalCorrelations
corr_size
indices
required_update_neighborhood
set
value
MultiClusterExpansion
coefficients
correlations
global_delta_value
local_delta_value
multi_occ_delta_value
occ_delta_value
per_supercell
per_unitcell
required_update_neighborhood
set
size
MultiLocalClusterExpansion
coefficients
correlations
required_update_neighborhood
set
size
value
OrderParameter
global_component_delta_value
global_delta_value
local_component_delta_value
local_delta_value
multi_occ_delta_value
occ_delta_value
set
update
value
PrimNeighborList
add_site
add_unitcell
default_lattice_weight_matrix
default_sublattice_indices
make_weight_matrix
n_neighborhood_sites
n_neighborhood_unitcells
neighbor_index
sublattice_indices
total_n_sublattice
weight_matrix
SparseCoefficients
from_data
to_data
index
value
SuperNeighborList
linear_unitcell_index
n_supercell_sites
n_supercell_unitcells
nbor_linear_site_index
nbor_linear_unitcell_index
overlaps
sites
sublattice_index
unitcells
libcasm package
libcasm.clexulator
DoFSpace
to_dict
to_dict
#
DoFSpace.
to_dict
(
self
:
DoFSpace
,
)
→
json
#
Represent the DoFSpace as a Python dict.
On this page
DoFSpace.to_dict()
