Function spdkit_surface::probe::probe_surface_atoms

source · 
pub fn probe_surface_atoms(
    mol: &Molecule,
    r_cutoff: f64,
    n_probes: usize
) -> Result<Vec<usize>>
Expand description

Probe surface atoms approaching slab surface from top in z-axis gradually

Parameters

  • mol: the molecule to be probed (slab model)
  • r_cutoff: the cutoff radius for probing surface atoms
  • n_probes: the number of random probe atoms