Contains calculation/auxiliary functions for the ACE descriptors.

acelib

• ace_potential
  • ACEPotential
    • ACEPotential.set_funcs()
    • ACEPotential.write_pot()
• clebsch_gordan_coupling
  • clebsch_gordan_coupling()
• common_utils
  • check_triangle()
  • filled_perm()
  • flatten()
  • get_ms()
  • group_vector_by_nodes()
  • group_vector_by_nodes_pairwise()
  • group_vector_by_orbits()
• coupling_utils
  • apply_ladder_relationships()
  • build_and_write_to_tabulated()
  • build_tree_for_l_intermediates()
  • calculate_highest_coupling_representation()
  • calculate_mu_n_l()
  • calculate_mu_nu_rank()
  • combine_blocks()
  • combine_muvector_nvector()
  • compute_intermediates()
  • compute_pa_labels_raw()
  • create_unique_combinations()
  • generate_l_LR()
  • generate_nl()
  • generate_tree_labels()
  • get_mapped()
  • get_mapped_subset()
  • lammps_remap()
  • read_from_tabulated()
  • simple_parity_filter()
• symmetric_group_manipulations
  • calculate_degenerate_orbit()
  • check_sequential()
  • enforce_sorted_orbit()
  • find_degenerate_indices()
  • leaf_filter()
• tree_sorting
  • Node
    • Node.value
    • Node.value_tuple
    • Node.children
    • Node.leaves
    • Node.left
    • Node.right
    • Node.is_sorted
    • Node.parent
    • Node.tree_id
    • Node.check_sorted()
    • Node.flip_children()
    • Node.get_current_value_tuple()
    • Node.return_children_vals()
    • Node.set_children()
    • Node.update_children()
  • build_full_tree()
  • build_quick_tree()
• wigner_coupling
  • wigner_3j_coupling()
• young
  • YoungSubgroup
    • YoungSubgroup.rank
    • YoungSubgroup.partition
    • YoungSubgroup.fills
    • YoungSubgroup.nodes
    • YoungSubgroup.remainder
    • YoungSubgroup.check_single_fill()
    • YoungSubgroup.is_column_sort()
    • YoungSubgroup.is_row_sort()
    • YoungSubgroup.reverse_vector()
    • YoungSubgroup.sigma_c_partitions()
    • YoungSubgroup.subgroup_fill()
    • YoungSubgroup.unique_permutations()