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Use tolerance-based supercell search in tutorial
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docs/tutorial/05-supercells.md

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -10,8 +10,8 @@ from httk.atomistic import load_structure
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structure = load_structure("POSCAR")
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general = structure.supercell([[2, 0, 0], [0, 2, 0], [0, 0, 1]])
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orthogonal = structure.orthogonal_supercell(multiplier=4)
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cubic = structure.cubic_supercell(multiplier=8)
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orthogonal = structure.orthogonal_supercell(tolerance="1/100")
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cubic = structure.cubic_supercell(tolerance="1/100")
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print(len(general.structure.sites), general.transformation)
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print(orthogonal.orthogonality_score)

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