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Software Open Access

srmnitc/pyscal: 2.10.12

Sarath Menon; rogalj; Daniel S. Katz; test-bot-pathsampling; Jan Janssen

New features

  • remap_atoms method helps in removing ghost atoms and remapping atoms to the system box.
  • add_atoms method which can add additional atoms to the systems.
Changes
  • Voronoi vertex_positions are remapped correctly to atomic positions.

Files (2.9 MB)
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srmnitc/pyscal-2.10.12.zip
md5:a12d5a987abe8cbdd772d4c83c357731
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