exatomic.algorithms.angles module

Two Body Properties Computations

exatomic.algorithms.angles.angles(dx, dy, dz, dr, atom0, atom1)[source]
exatomic.algorithms.angles.compute_angles_out_of_core(hdfname, uni, bond=True)[source]

Given an HDF of atom two body properties, compute angles.

Atomic two body data is expected to have been computed (see compute_atom_two_out_of_core())

Parameters:

  • hdfname (str) – Path to HDF file containing two body data

  • uni (Universe) – Universe

  • bond (bool) – Restrict to bond angles (default True)

Warning

If bond is set to False, this process may take a very long time.