Loosen test tolerances following phonopy PR#224

This commit is contained in:
Atsushi Togo 2022-08-26 15:03:16 +09:00
parent 01c4499080
commit 208ac277ae
4 changed files with 7 additions and 4 deletions

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@ -163,8 +163,9 @@ static PyMethodDef _phono3py_methods[] = {
"Set permutation symmetry for compact-fc3"},
{"transpose_compact_fc3", (PyCFunction)py_transpose_compact_fc3,
METH_VARARGS, "Transpose compact fc3"},
{"tetrahedra_relative_grid_address", py_get_thm_relative_grid_address,
METH_VARARGS, "Relative grid addresses of vertices of 24 tetrahedra"},
{"tetrahedra_relative_grid_address",
(PyCFunction)py_get_thm_relative_grid_address, METH_VARARGS,
"Relative grid addresses of vertices of 24 tetrahedra"},
{"neighboring_grid_points", (PyCFunction)py_get_neighboring_grid_points,
METH_VARARGS, "Neighboring grid points by relative grid addresses"},
{"integration_weights_at_grid_points",

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@ -33,6 +33,8 @@
# ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
# POSSIBILITY OF SUCH DAMAGE.
from __future__ import annotations
import warnings
from typing import Optional

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@ -214,7 +214,7 @@ def test_gv_operator_nacl(ph_nacl: Phonopy):
np.testing.assert_allclose(
(square_modulus_q[:, :, direction]).ravel(),
gv_operator_square_modulus_ref[direction].ravel(),
atol=1e-5,
atol=1e-3,
)

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@ -1091,5 +1091,5 @@ def test_imag_self_energy_nacl_nac_npoints(nacl_pbe: Phono3py):
freq_points_nacl_nac, _fpoints.ravel(), rtol=0, atol=1e-5
)
np.testing.assert_allclose(
gammas_nacl_nac, np.swapaxes(_gammas, -1, -2).ravel(), rtol=0, atol=1e-2
gammas_nacl_nac, np.swapaxes(_gammas, -1, -2).ravel(), rtol=0, atol=2e-2
)