make_cluster_matrix_rep#

casm.bset.cluster_functions.make_cluster_matrix_rep(
local_dof_matrix_rep: list[list[ndarray]],
cluster: Cluster,
cluster_group: SymGroup,
cluster_perm_rep: list[list[int]],
total_dim: int,
site_index_to_basis_index: dict[int, int],
)[source]#

Make the matrix representation for the cluster group, for a single DoF

Parameters:

  • local_dof_matrix_rep (list[list[np.ndarray]]) – The local DoF matrix reps, M, for each prim factor group operation, for each sublattice, M = local_dof_matrix_rep[prim_factor_group_index][sublattice_index].

  • cluster (Cluster) – The cluster

  • cluster_group (SymGroup) – The cluster group

  • cluster_perm_rep (list[list[int]]) – The cluster permute representation, from_site_index = cluster_permutation_rep[cluster_group_index][to_site_index].

  • total_dim (int) – The total dimension of the resulting cluster matrix reps.

  • site_index_to_basis_index (dict[int, int]) – Specifies the beginning row or column, basis_index, in the cluster matrix rep for each site in the cluster, basis_index = site_index_to_basis_index[site_index].

Returns:

cluster_matrix_rep – The matrix representation for each element of the cluster group, including proper permutation.

Return type:

list[np.ndarray[np.float64[total_dim, total_dim]]]