Classes

SymmetryOperations(atoms[, symprec])

All the symmetry operations in the input structure.

Functions

get_least_displacements_from_symmetry(atoms, …)

To find the least number of displacements that need to calculate force constant.

get_permutations(pos_a, pos_b[, symprec])

Get the permuation index which enables pos_b = pos_a[ind].

resolve_force_constants(atoms, atoms_N, …)

Calculate the force constant from the least number of displacemented structures.

similarity_transformation(a, b)

Calculate the similarity matrix, B = P^-1 A P.