Searched refs:generate_all_slabs (Results 1 – 4 of 4) sorted by relevance
| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/tests/ |
| H A D | test_surface.py | 18 generate_all_slabs,
201 all_Ti_slabs = generate_all_slabs(
216 all_Ag_fcc_slabs = generate_all_slabs(
252 all_non_laue_slabs = generate_all_slabs(self.nonlaue, 1, 15, 15, symmetrize=True)
260 all_Ti_slabs = generate_all_slabs(
298 all_slabs = generate_all_slabs(self.agfcc, 2, 10, 10, max_normal_search=3)
326 slabs = generate_all_slabs(
835 slabs = generate_all_slabs(self.cscl, 1, 10, 10)
840 slabs = generate_all_slabs(self.Fe, 1, 10, 10, include_reconstructions=True)
845 slabs = generate_all_slabs(self.cscl, 1, 10, 10, bonds={("Cs", "Cl"): 4})
[all …]
|
| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/tests/ |
| H A D | test_adsorption.py | 28 slabs = generate_all_slabs(
145 slabs = generate_all_slabs(self.MgO, 1, 10, 10, center_slab=True, max_normal_search=1)
|
| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/ |
| H A D | adsorption.py | 25 from pymatgen.core.surface import generate_all_slabs
119 slabs = generate_all_slabs(
|
| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/ |
| H A D | surface.py | 1735 def generate_all_slabs( function
|