Searched refs:center_slab (Results 1 – 7 of 7) sorted by relevance
| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/interfaces/ |
| H A D | coherent_interfaces.py | 71 center_slab=True,
82 center_slab=True,
120 center_slab=True,
131 center_slab=True,
181 center_slab=True,
192 center_slab=True,
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/tests/ |
| H A D | test_surface.py | 39 zno55 = SlabGenerator(zno1, [1, 0, 0], 5, 5, lll_reduce=False, center_slab=False).get_slab()
100 center_slab=False,
164 center_slab=False,
176 slabgen = SlabGenerator(self.agfcc, (3, 1, 0), 10, 10, center_slab=bool)
210 center_slab=False,
225 center_slab=False,
269 center_slab=False,
335 center_slab=False,
607 slabs = generate_all_slabs(self.Dy, 1, 30, 30, center_slab=True, symmetrize=True)
616 slabgen = SlabGenerator(s, (0, 0, 1), 10, 10, center_slab=True)
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/tests/ |
| H A D | test_adsorption.py | 34 center_slab=True,
145 slabs = generate_all_slabs(self.MgO, 1, 10, 10, center_slab=True, max_normal_search=1)
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/ |
| H A D | surface.py | 776 center_slab=False, argument
920 self.center_slab = center_slab
985 if self.center_slab:
1745 center_slab=False, argument
1816 center_slab=center_slab,
1945 def center_slab(slab): function
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| H A D | interface.py | 351 center_slab: bool = True,
424 if center_slab:
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/ |
| H A D | adsorption.py | 89 center_slab=True, argument
125 center_slab=center_slab,
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/transformations/ |
| H A D | advanced_transformations.py | 1174 center_slab=False, argument
1199 self.center_slab = center_slab
1222 self.center_slab,
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