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Searched refs:PhononDos (Results 1 – 10 of 10) sorted by relevance

/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/phonon/
H A Ddos.py34 class PhononDos(MSONable): class
83 return PhononDos(self.frequencies, densities)
324 class CompletePhononDos(PhononDos):
354 return PhononDos(self.frequencies, self.pdos[site])
371 return {el: PhononDos(self.frequencies, densities) for el, densities in el_dos.items()}
378 tdos = PhononDos.from_dict(d)
H A Dgruneisen.py18 from pymatgen.phonon.dos import PhononDos
192 return PhononDos(self.tdos.frequency_points, self.tdos.dos)
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/phonon/tests/
H A Dtest_dos.py6 from pymatgen.phonon.dos import CompletePhononDos, PhononDos
13 self.dos = PhononDos.from_dict(json.load(f))
/dports/science/py-abipy/abipy-0.9.0/abipy/dfpt/tests/
H A Dtest_phonons.py11 from abipy.dfpt.phonons import (PhononBands, PhononDos, PhdosFile, phbands_gridplot,
324 phdos = PhononDos(mesh=[1, 2, 3], values=[4, 5, 6])
329 PhononDos.as_phdos({}, {})
331 assert PhononDos.as_phdos(phdos, {}) is phdos
338 same_phdos = PhononDos.as_phdos(tmp_path)
376 assert phdos == PhononDos.as_phdos(abidata.ref_file("trf2_5.out_PHDOS.nc"))
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/
H A Dphonopy.py20 from pymatgen.phonon.dos import CompletePhononDos, PhononDos
230 return PhononDos(a[:, 0], a[:, 1])
249 total_dos = PhononDos(a[0], a[1:].sum(axis=0))
362 total_dos = PhononDos(dos_raw[0], dos_raw[1].sum(axis=0))
/dports/science/py-abipy/abipy-0.9.0/docs/
H A Dlinks.rst125 .. |PhononDos| replace:: :class:`abipy.dfpt.phonons.PhononDos` substdef
/dports/science/py-abipy/abipy-0.9.0/abipy/dfpt/
H A Dphonons.py19 from pymatgen.phonon.dos import CompletePhononDos as PmgCompletePhononDos, PhononDos as PmgPhononDos
656 return PhononDos(mesh, values)
1561 phdos = PhononDos.as_phdos(phdos, phdos_kwargs=None)
2642 class PhononDos(Function1D): class
2997 return PhononDos(self.wmesh, self.read_value("phdos"))
3028 od[symbol] = PhononDos(self.wmesh, values[type_idx])
3429 phdos_list = [PhononDos.as_phdos(obj, phdos_kwargs) for obj in phdos_objects]
3529 key_phdos = [(k, PhononDos.as_phdos(v, phdos_kwargs)) for k, v in key_phdos]
3634 self.phdoses_dict[label] = PhononDos.as_phdos(phdos, phdos_kwargs)
4134 self._phdoses_dict[label] = PhononDos.as_phdos(phdos, phdos_kwargs)
H A Dgruneisen.py18 from abipy.dfpt.phonons import PhononBands, PhononBandsPlotter, PhononDos, match_eigenvectors, get_…
566 return PhononDos(self.doses['wmesh'], self.doses['gruns_wdos'][0])
H A Dqha.py15 from abipy.dfpt.phonons import PhononBandsPlotter, PhononDos, PhdosFile
588 doses = [PhononDos.as_phdos(dp) for dp in phdos_paths]
/dports/science/py-abipy/abipy-0.9.0/abipy/eph/
H A Da2f.py23 from abipy.dfpt.phonons import PhononBands, PhononDos, RobotWithPhbands
385 phdos = PhononDos.as_phdos(phdos)
853 phdos = PhononDos.as_phdos(phdos)