shakenbreak

• ShakeNBreak Package
  • Module contents
  • Submodules
    • shakenbreak.input module
    • shakenbreak.distortions module
      • apply_dimer_distortion()
      • distort()
      • distort_and_rattle()
      • get_dimer_bond_length()
      • local_mc_rattle()
      • rattle()
    • shakenbreak.io module
      • parse_energies()
      • parse_fhi_aims_input()
      • parse_qe_input()
      • parse_structure()
      • read_castep_structure()
      • read_cp2k_structure()
      • read_espresso_structure()
      • read_fhi_aims_structure()
      • read_vasp_structure()
    • shakenbreak.analysis module
    • shakenbreak.plotting module
    • shakenbreak.energy_lowering_distortions module
    • shakenbreak.cli module
      • Commands