Melting: Edit CNA descriptor functions#636
Melting: Edit CNA descriptor functions#636prabhath-c wants to merge 2 commits intoprabhath_melting_stackedfrom
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prabhath-c
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prabhath-c
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Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## prabhath_melting_stacked #636 +/- ##
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prabhath-c
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| structure (pyiron_atomistics.structure.atoms.Atoms): The structure to analyze. | ||
| mode ("total"/"numeric"/"str"): Controls the style and level | ||
| of detail of the output. | ||
| - total : return number of atoms belonging to each structure | ||
| - numeric : return a per atom list of numbers- 0 for unknown, | ||
| 1 fcc, 2 hcp, 3 bcc and 4 icosa | ||
| - str : return a per atom string of sructures | ||
| diamond (bool): Flag to either use the diamond structure detector or | ||
| the common neighbor analysis. |
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