mirror of https://github.com/phonopy/phono3py.git
Loosen test tolerances following phonopy PR#224
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@ -163,8 +163,9 @@ static PyMethodDef _phono3py_methods[] = {
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"Set permutation symmetry for compact-fc3"},
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{"transpose_compact_fc3", (PyCFunction)py_transpose_compact_fc3,
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METH_VARARGS, "Transpose compact fc3"},
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{"tetrahedra_relative_grid_address", py_get_thm_relative_grid_address,
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METH_VARARGS, "Relative grid addresses of vertices of 24 tetrahedra"},
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{"tetrahedra_relative_grid_address",
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(PyCFunction)py_get_thm_relative_grid_address, METH_VARARGS,
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"Relative grid addresses of vertices of 24 tetrahedra"},
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{"neighboring_grid_points", (PyCFunction)py_get_neighboring_grid_points,
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METH_VARARGS, "Neighboring grid points by relative grid addresses"},
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{"integration_weights_at_grid_points",
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@ -33,6 +33,8 @@
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# ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
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# POSSIBILITY OF SUCH DAMAGE.
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from __future__ import annotations
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import warnings
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from typing import Optional
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@ -214,7 +214,7 @@ def test_gv_operator_nacl(ph_nacl: Phonopy):
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np.testing.assert_allclose(
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(square_modulus_q[:, :, direction]).ravel(),
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gv_operator_square_modulus_ref[direction].ravel(),
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atol=1e-5,
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atol=1e-3,
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)
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@ -1091,5 +1091,5 @@ def test_imag_self_energy_nacl_nac_npoints(nacl_pbe: Phono3py):
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freq_points_nacl_nac, _fpoints.ravel(), rtol=0, atol=1e-5
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)
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np.testing.assert_allclose(
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gammas_nacl_nac, np.swapaxes(_gammas, -1, -2).ravel(), rtol=0, atol=1e-2
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gammas_nacl_nac, np.swapaxes(_gammas, -1, -2).ravel(), rtol=0, atol=2e-2
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)
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