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Searched refs:bz2ibz (Results 1 – 11 of 11) sorted by relevance

/dports/science/py-ase/ase-3.22.0/ase/io/
H A Dgpw.py23 bz2ibz = None
27 bz2ibz = kpts.get('bz2ibz')
39 bz2ibz=bz2ibz,
/dports/science/py-ase/ase-3.22.0/ase/test/dft/
H A Dtest_interpolate.py7 bz2ibz = [0, 1, 1, 2]
8 x = monkhorst_pack_interpolate(path, eps, np.eye(3), bz2ibz,
/dports/science/py-ase/ase-3.22.0/ase/calculators/
H A Dsinglepoint.py85 efermi=None, bzkpts=None, ibzkpts=None, bz2ibz=None, argument
89 self.bz2ibz = bz2ibz
100 return self.bz2ibz
/dports/science/py-ase/ase-3.22.0/ase/dft/
H A Ddos.py59 bz2ibz = calc.get_bz_to_ibz_map()
61 self.e_skn = self.e_skn[:, bz2ibz].reshape(shape)
H A Dkpoints.py668 def monkhorst_pack_interpolate(path, values, icell, bz2ibz, argument
716 v = np.asarray(values)[bz2ibz]
/dports/science/py-abipy/abipy-0.9.0/abipy/core/tests/
H A Dtest_skw.py47 assert len(k.bz2ibz) == k.nbz
H A Dtest_kpoints.py608 bz2ibz = map_grid2ibz(self.mgb2, self.kibz, self.ngkpt, self.has_timrev, pbc=False)
621 ik_ibz = bz2ibz[ik_bz]
/dports/science/py-abipy/abipy-0.9.0/abipy/core/
H A Dskw.py83 bz2ibz = np.empty(len(bz), dtype=int)
88 bz2ibz[i] = inds[0]
94 bz=bz, nbz=len(bz), grid=grid, bz2ibz=bz2ibz)
H A Dkpoints.py251 bz2ibz = bzgrid2ibz.flatten()
252 return bz2ibz
1810 self.bz2ibz = np.empty(len(self.bz), dtype=int)
1814 self.bz2ibz[ik_bz] = inds[0]
1836 for ik_bz, ik_ibz in enumerate(self.bz2ibz):
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/utilities/
H A Dibz2bz.py92 wfs.child('kpts').write(bz2ibz=np.arange(nK),
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/wavefunctions/
H A Dbase.py534 assert (kpts.bz2ibz == self.kd.bz2ibz_k).all()