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killiansheriff committed Mar 14, 2024
1 parent 5299b7b commit 9cbe10c
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")\n",
"\n",
"\n",
"print(f\"The dissimilarity between these two motifs is: {d_ij[0]:.2f}.\\n\\nBefore weighthing based on the number of bonds of each structure, they have a central atom dissimilarity of {central_atom_dissim[0]:.2f} since their central atom atomic types are the same. Their chemical composition dissimilarity is of {concentration_dissim[0]:.2f}/12 because only two atoms are swapped. And their structural dissimilarity is of {structural_dissim[0]:.2f}.\")"
"print(f\"The dissimilarity between these two motifs is: {d_ij[0]:.2f}.\\n\\nBefore weighthing based on the number of bonds of each structure, they have a central atom dissimilarity of {central_atom_dissim[0]:.2f} since their central atom atomic types are the same. Their chemical composition dissimilarity is of {concentration_dissim[0]:.2f}/12 because we lost one red and gained one blue atom. And their structural dissimilarity is of {structural_dissim[0]:.2f}.\")"
]
}
],
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2 changes: 1 addition & 1 deletion examples/doi-TBD/bcc_quaternary_system.ipynb
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Expand Up @@ -1809,7 +1809,7 @@
")\n",
"\n",
"\n",
"print(f\"The dissimilarity between these two motifs is: {d_ij[0]:.2f}.\\n\\nBefore weighthing based on the number of bonds of each structure, they have a central atom dissimilarity of {central_atom_dissim[0]:.2f} since their central atom atomic types are the same. Their chemical composition dissimilarity is of {concentration_dissim[0]:.2f}/8 because only two atoms are swapped. And their structural dissimilarity is of {structural_dissim[0]:.2f}.\")"
"print(f\"The dissimilarity between these two motifs is: {d_ij[0]:.2f}.\\n\\nBefore weighthing based on the number of bonds of each structure, they have a central atom dissimilarity of {central_atom_dissim[0]:.2f} since their central atom atomic types are the same. Their chemical composition dissimilarity is of {concentration_dissim[0]:.2f}/8 because we lost one yellow atom and gained one red atom. And their structural dissimilarity is of {structural_dissim[0]:.2f}.\")"
]
}
],
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