Searched refs:get_neighbors_in_shell (Results 1 – 3 of 3) sorted by relevance
| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/tests/ |
| H A D | test_structure.py | 453 … nn = s.get_neighbors_in_shell(s[0].frac_coords, 2, 4, include_index=True, include_image=True)
1404 nn = self.mol.get_neighbors_in_shell([0, 0, 0], 0, 1)
1406 nn = self.mol.get_neighbors_in_shell([0, 0, 0], 1, 0.9)
1408 nn = self.mol.get_neighbors_in_shell([0, 0, 0], 1, 0.9)
1410 nn = self.mol.get_neighbors_in_shell([0, 0, 0], 2, 0.1)
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/ |
| H A D | structure.py | 1621 def get_neighbors_in_shell( member in IStructure
2873 def get_neighbors_in_shell(self, origin: ArrayLike, r: float, dr: float) -> List[Neighbor]: member in IMolecule
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/ |
| H A D | graphs.py | 385 equiv_sites = self.structure.get_neighbors_in_shell(
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