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  • iprPy 0.11.6 documentation
  • Jupyter Demonstration Notebooks

Jupyter Demonstration Notebooks

  • E_vs_r_scan - Methodology and code
  • bond_angle_scan - Methodology and code
  • crystal_space_group - Methodology and code
  • diatom_scan - Methodology and code
  • dislocation_SDVPN - Methodology and code
  • dislocation_monopole - Methodology and code
  • dislocation_periodic_array - Methodology and code
  • elastic_constants_static - Methodology and code
  • energy_check - Methodology and code
  • isolated_atom - Methodology and code
  • phonon - Methodology and code
  • point_defect_static - Methodology and code
  • relax_box - Methodology and code
  • relax_dynamic - Methodology and code
  • relax_liquid - Methodology and code
  • relax_static - Methodology and code
  • stacking_fault_map_2D - Methodology and code
  • stacking_fault_static - Methodology and code
  • surface_energy_static - Methodology and code

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E_vs_r_scan - Methodology and code