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由 Florian Knoop 创作于
* tests | add start of small test suite * start with atomic_distribution * tests | add canonical_configuration * tests | add crystal_structure_info * tests | missing files for atomic_distribution * tests | add extract_forceconstants * tests | add generate_structure * tests | add lineshape * tests | add pack_simulation * test | phonon_dispersion_relations * tests | add thermal_conductivity * tests | shortcut to do everything * tests | add requirements.txt * tests | fix * tests | mention in INSTALL.md and CONTRIBUTING.md * tests | add anharmonic_free_energy * tests | fix * tests | update dispersion test * tests | use np.testing.assert_allclose * tests | fix, hide thermal_conductivity for the time being * tests | remove BZ test --> degeneracy * tests | fix thermal_conductivity test * needs more realstic forceconstants to work * tests | fix test_thermal_conductivity * losen requirements a little, allow 1% difference * Install | point out the bashrc lines * tests | add missing dependency for reading hdf5 * tests | use xarray[io] for handling the file io probably a little overkill
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