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

/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/tests/
H A Dtest_surface.py17 SlabGenerator,
94 zno_not_or = SlabGenerator(
157 slab = SlabGenerator(
312 slabgen = SlabGenerator(s, (0, 0, 1), 15, 15)
393 gen = SlabGenerator(s, [0, 0, 1], 10, 10)
448 gen = SlabGenerator(s, miller, 10, 10)
456 gen = SlabGenerator(fcc, miller, 10, 10)
488 gen = SlabGenerator(s, [0, 0, 1], 10, 10)
509 gen = SlabGenerator(LiCoO2, [0, 0, 1], 10, 10)
517 gen = SlabGenerator(scc, [0, 0, 1], 10, 10)
[all …]
H A Dtest_interface.py11 from pymatgen.core.surface import Slab, SlabGenerator
104 si_slab = SlabGenerator(si_conventional, (1, 1, 1), 5, 10, reorient_lattice=True).get_slab()
105 … sio2_slab = SlabGenerator(sio2_conventional, (1, 0, 0), 5, 10, reorient_lattice=True).get_slab()
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/interfaces/
H A Dcoherent_interfaces.py18 from pymatgen.core.surface import SlabGenerator
65 film_sg = SlabGenerator(
76 sub_sg = SlabGenerator(
114 film_sg = SlabGenerator(
125 sub_sg = SlabGenerator(
175 film_sg = SlabGenerator(
186 sub_sg = SlabGenerator(
H A Dsubstrate_analyzer.py16 SlabGenerator,
53 … struc = SlabGenerator(film, film_miller, 20, 15, primitive=False).get_slab().oriented_unit_cell
133 film_slab = SlabGenerator(self.film, f, 20, 15, primitive=False).get_slab()
137 … substrate_slab = SlabGenerator(self.substrate, s, 20, 15, primitive=False).get_slab()
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/
H A Ddimensionality.py36 from pymatgen.core.surface import SlabGenerator
551 sg = SlabGenerator(
H A Dstructure_analyzer.py25 from pymatgen.core.surface import SlabGenerator
466 sg = SlabGenerator(
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/transformations/tests/
H A Dtest_advanced_transformations.py19 from pymatgen.core.surface import SlabGenerator
598 gen = SlabGenerator(s, [0, 0, 1], 10, 10)
607 gen = SlabGenerator(fcc, [1, 1, 1], 10, 10)
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/
H A Dsurface.py725 class SlabGenerator: class
1570 for slab in SlabGenerator(**self.slabgen_params).get_slabs():
1810 gen = SlabGenerator(
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/transformations/
H A Dadvanced_transformations.py36 from pymatgen.core.surface import SlabGenerator
1216 sg = SlabGenerator(
/dports/graphics/blender/blender-2.91.0/release/scripts/addons/archipack/
H A Darchipack_slab.py90 class SlabGenerator(CutAblePolygon, CutAbleGenerator): class
600 g = SlabGenerator(self.parts)
/dports/science/py-pymatgen/pymatgen-2022.0.15/
H A DCHANGES.rst547 * Updates to SlabGenerator (@richardtran415)
1575 * Bug fixes for SpacegroupAnalyzer and SlabGenerator.