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Searched refs:WulffShape (Results 1 – 7 of 7) sorted by relevance

/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/tests/
H A Dtest_wulff.py7 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])
H A Dtest_surface_analysis.py14 from pymatgen.analysis.wulff import WulffShape
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/ext/tests/
H A Dtest_matproj.py15 from pymatgen.analysis.wulff import WulffShape
371 self.assertTrue(isinstance(ws, WulffShape))
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/
H A Dsurface_analysis.py48 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)
H A Dwulff.py101 class WulffShape: class
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/ext/
H A Dmatproj.py1419 from pymatgen.analysis.wulff import WulffShape
1432 return WulffShape(lattice, millers, energies)
/dports/science/py-pymatgen/pymatgen-2022.0.15/
H A DCHANGES.rst1303 * Major refactoring of WulffShape code.
1308 * Major refactoring of WulffShape and lammps support.