ASE2SPRKKR

Contents

  • How to use the package
  • More about the package installation
  • Philosophy of the package (for developers)
  • Changelog
  • Hastily written ASE2SPRKKR slides

Links

  • ASE2SPRKKR homepage
  • ASE - atomic simulation environment
  • SPR-KKR
  • GitHub repository
  • PyPI package
  • SPR-KKR manual

Class documentation

  • ase2sprkkr
    • ase
    • bindings
    • common
    • input_parameters
    • outputs
    • physics
    • potentials
      • custom_potential_section
      • definitions
      • potential_definitions
      • potential_sections
      • potentials
      • test
        • init_tests
        • test_2D
        • test_custom_section
        • test_potential
        • test_structure
    • sprkkr
    • tools
    • version
ASE2SPRKKR
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test

Full name: ase2sprkkr.potentials.test

Description

Modules

ase2sprkkr.potentials.test.init_tests

Routines and classes used in tests

ase2sprkkr.potentials.test.test_2D

ase2sprkkr.potentials.test.test_custom_section

ase2sprkkr.potentials.test.test_potential

ase2sprkkr.potentials.test.test_structure

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© Copyright 2021, Matyáš Novák & Jano Minár.

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