pwtools.crys.nearest_neighbors_from_dists¶
- pwtools.crys.nearest_neighbors_from_dists(dists, symbols, idx=None, skip=None, cutoff=None, num=None, pbc=True, sort=True, fullout=False)[source]¶
Core part of nearest_neighbors(), which accepts pre-calculated distances.
Can be more efficient in loops where many different nearest neighbors should be calculated from the same distances.
- Parameters:
dists (2d array (natoms,natoms)) – Cartesian distances (see distances()).
symbols (sequence of strings (natoms,)) – Atom symbols, i.e. struct.symbols
nearest_neighbors(). (Rest see) –