neighbors

esta.general.neighbors

get_neighbors(label, tau_cartesian, n_pts, n_neighbors)

get neighbors of n points (n_pts= atomic positions) along with distance

Parameters:

• label –

  list of label of pts/atoms

• tau_cartesian –

  array of atomic-positions/pts in cartesian coordinates

• n_pts –

  no. of pts/atomic-coordinate whose neighbors are to be found

• n_neighbors –

  integer for how many eneighbours

Returns:

• ind ( (arrray,) ) –

  array of indices of neighbors including self

• dist ( (array,) ) –

  array of distances from neighbors incuding self distance (self distance is zero, as we know)