Modules

Note

The functions in snips/ are snippets that might be useful to some but are not documented here as they address minor or technical aspects not relevant for the whole package.

Tools

• Substrate
  • calc_en_gaussian()
  • calc_en_sin()
  • calc_en_sin_tri()
  • calc_en_tanh()
  • calc_matrices_bvect()
  • calc_matrices_square()
  • calc_matrices_triangle()
  • gaussian()
  • get_ks()
  • particle_en_gaussian()
  • particle_en_sin()
  • particle_en_sin_tri()
  • particle_en_tanh()
  • substrate_from_params()
• Cluster
  • add_basis()
  • calc_cluster_langevin()
  • cluster_from_params()
  • cluster_inhex_Nl()
  • cluster_poly()
  • create_cluster()
  • create_cluster_circle()
  • create_cluster_hex()
  • create_cluster_rect()
  • create_cluster_special()
  • create_cluster_tri()
  • create_input_hex()
  • get_poly()
  • get_rotomatr()
  • load_cluster()
  • load_input_hex()
  • params_from_ASE()
  • params_from_poscar()
  • rotate()
  • save_xyz()
• String method
  • Path
  • PotentialPathAnalyt
• Miscellanous
  • get_brillouin_zone_2d()
  • handle_run()
  • plot_BZ2d()
  • plot_UC()
  • plt_cosmetic()

Static

• Static Translation
  • static_traslmap()
• Static Rotation
  • static_rotomap()
• Static Rotation and Translation
  • static_rototraslmap()

Dynamics

• Transition state barrier
  • static_barrier()
• Molecular Dynamics of rigid cluster
  • MD_rigid()