| /dports/science/py-abipy/abipy-0.9.0/abipy/core/ |
| H A D | structure.py | 1211 def dot(self, coords_a, coords_b, space="r", frac_coords=False): argument
1229 def norm(self, coords, space="r", frac_coords=True): argument
1590 def displace(self, displ, eta, frac_coords=True, normalize=True): argument
1752 def write_vib_file(self, xyz_file, qpoint, displ, do_real=True, frac_coords=True, argument
1805 …def frozen_2phonon(self, qpoint, displ1, displ2, eta=1, frac_coords=False, scale_matrix=None, max_… argument
1877 …def frozen_phonon(self, qpoint, displ, eta=1, frac_coords=False, scale_matrix=None, max_supercell=… argument
2313 def displace(self, displ, etas, frac_coords=True): argument
2340 …def frozen_phonon(self, qpoint, displ, eta=1, frac_coords=False, scale_matrix=None, max_supercell=… argument
2344 …def frozen_2phonon(self, qpoint, displ1, displ2, eta=1, frac_coords=False, scale_matrix=None, max_… argument
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| H A D | kpoints.py | 571 def __init__(self, frac_coords, lattice, weight=None, name=None): argument
616 def frac_coords(self): member in Kpoint
847 def __init__(self, reciprocal_lattice, frac_coords, weights=None, names=None, ksampling=None): argument
1027 def frac_coords(self): member in KpointList
1437 def __init__(self, reciprocal_lattice, frac_coords, weights=None, names=None, ksampling=None): argument
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| H A D | symmetries.py | 393 def rotate_k(self, frac_coords, wrap_tows=False): argument
403 def preserve_k(self, frac_coords, ret_g0=True): argument
423 def rotate_r(self, frac_coords, in_ucell=False): argument
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/command_line/ |
| H A D | critic2_caller.py | 334 frac_coords, argument
864 def _add_node(self, idx, unique_idx, frac_coords): argument
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/core/ |
| H A D | sites.py | 408 def frac_coords(self) -> np.ndarray: member in PeriodicSite
415 def frac_coords(self, frac_coords): member in PeriodicSite
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| H A D | structure.py | 1127 def frac_coords(self): member in IStructure
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| /dports/science/py-abipy/abipy-0.9.0/abipy/display/ |
| H A D | mvtk.py | 148 def plot_structure(structure, frac_coords=False, to_unit_cell=False, style="points+labels", argument
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| /dports/science/py-abipy/abipy-0.9.0/abipy/tools/ |
| H A D | numtools.py | 423 def eval_points(self, frac_coords, idt=None, cartesian=False, kpoint=None): argument
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/ |
| H A D | phonopy.py | 105 def eigvec_to_eigdispl(v, q, frac_coords, mass): argument
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/ |
| H A D | path_finder.py | 283 def __f2d(frac_coords, v): argument
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| /dports/science/py-kliff/kliff-0.3.0/kliff/neighbor/ |
| H A D | neighbor_list.cpp | 294 double * frac_coords = new double[DIM * numberOfParticles]; in nbl_create_paddings() local
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/electronic_structure/ |
| H A D | bandstructure.py | 87 def frac_coords(self): member in Kpoint
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/analysis/defects/ |
| H A D | utils.py | 878 def __init__(self, lattice, frac_coords, polyhedron_indices, all_coords, name=None): argument
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