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Searched refs:remove_sites (Results 1 – 11 of 11) sorted by relevance

/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/transformations/
H A Dsite_transformations.py166 s.remove_sites(self.indices_to_remove)
350 s.remove_sites(to_delete)
380 s_new.remove_sites(indices_list)
443 s.remove_sites(del_indices)
H A Dstandard_transformations.py657 s_copy.remove_sites(del_indices)
H A Dadvanced_transformations.py801 structure.remove_sites(sites_to_remove)
2006 disordered_substructure.remove_sites(idx_to_remove)
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/
H A Dsurface.py649 slab.remove_sites([len(slab) - 1])
650 slab.remove_sites([len(slab) - 1])
713 s.remove_sites([i1, i2])
720 self.remove_sites(removal_list)
1325 slab.remove_sites([c_dir.index(max(c_dir))])
1327 slab.remove_sites([c_dir.index(min(c_dir))])
H A Dstructure.py3525 def remove_sites(self, indices: Sequence[int]): member in Structure
4004 def remove_sites(self, indices: Sequence[int]): member in Molecule
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/lammps/
H A Dutils.py169 self.molecule.remove_sites(range(polymer_length - i, polymer_length))
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/tests/
H A Dtest_graphs.py201 struct_copy.remove_sites([1])
729 mol_copy.remove_sites([1])
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/defects/
H A Dcore.py179 defect_structure.remove_sites([defindex])
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/
H A Dadsorption.py534 adslab.remove_sites(indices)
H A Dgraphs.py637 self.structure.remove_sites(indices)
2041 self.molecule.remove_sites(indices)
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/tests/
H A Dtest_structure.py753 s.remove_sites([1, 2])
1534 mol.remove_sites([0, 1])