Searched refs:WulffShape (Results 1 – 7 of 7) sorted by relevance
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/tests/ |
H A D | test_wulff.py | 7 from pymatgen.analysis.wulff import WulffShape 52 self.wulff_Nb = WulffShape(latt_Nb, miller_indices["mp-8636"], surface_energies["mp-8636"]) 59 self.wulff_Ir = WulffShape(latt_Ir, miller_indices["mp-101"], surface_energies["mp-101"]) 66 self.wulff_Ti = WulffShape(latt_Ti, miller_indices["mp-72"], surface_energies["mp-72"]) 67 self.cube = WulffShape(Lattice.cubic(1), [(1, 0, 0)], [1]) 68 … self.hex_prism = WulffShape(Lattice.hexagonal(2.63, 5.21), [(0, 0, 1), (1, 0, 0)], [0.35, 0.53])
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H A D | test_surface_analysis.py | 14 from pymatgen.analysis.wulff import WulffShape
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/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/ext/tests/ |
H A D | test_matproj.py | 15 from pymatgen.analysis.wulff import WulffShape 371 self.assertTrue(isinstance(ws, WulffShape))
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/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/ |
H A D | surface_analysis.py | 48 from pymatgen.analysis.wulff import WulffShape 586 return WulffShape(latt, miller_list, e_surf_list, symprec=symprec) 1885 return WulffShape(wulffshape.lattice, miller_list, scaled_se, symprec=self.symprec)
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H A D | wulff.py | 101 class WulffShape: class
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/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/ext/ |
H A D | matproj.py | 1419 from pymatgen.analysis.wulff import WulffShape 1432 return WulffShape(lattice, millers, energies)
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/dports/science/py-pymatgen/pymatgen-2022.0.15/ |
H A D | CHANGES.rst | 1303 * Major refactoring of WulffShape code. 1308 * Major refactoring of WulffShape and lammps support.
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