nanotools.relaxation package

Submodules

• nanotools.relaxation.general_material module
  • NBRelaxer
    • NBRelaxer.atomcell
    • NBRelaxer.relaxation_type
    • NBRelaxer.tolerance
    • NBRelaxer.max_steps
    • NBRelaxer.fix_atoms_index
    • NBRelaxer.parse_xyz_file()
    • NBRelaxer.plot_energy()
    • NBRelaxer.relax()
    • NBRelaxer.relax_full()
    • NBRelaxer.relax_position()
    • NBRelaxer.relax_strain()
    • NBRelaxer.visualize_trajectory()
    • NBRelaxer.write()
• nanotools.relaxation.two_probe module
  • NBRelaxer
    • NBRelaxer.atomcell_L
    • NBRelaxer.atomcell_R
    • NBRelaxer.atomcell_C
    • NBRelaxer.transport_axis
    • NBRelaxer.tolerance
    • NBRelaxer.max_steps
    • NBRelaxer.fix_2_layer_leads
    • NBRelaxer.check_overlap()
    • NBRelaxer.check_overlap_side()
    • NBRelaxer.generate_pbc_for_direction()
    • NBRelaxer.parse_xyz_file()
    • NBRelaxer.plot_energy()
    • NBRelaxer.relax()
    • NBRelaxer.relax_central_region()
    • NBRelaxer.scale_atoms()
    • NBRelaxer.sort_atoms_along_direction()
    • NBRelaxer.translate_atoms_along_direction()
    • NBRelaxer.transport_direction_to_index()
    • NBRelaxer.visualize_trajectory()
    • NBRelaxer.write()

Module contents