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      • nanotools.relaxation package
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  • nanotools.relaxation package
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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

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