Skip to content

Commit

Permalink
trying to lower atol for orbital_products
Browse files Browse the repository at this point in the history
Signed-off-by: Nick Papior <[email protected]>
  • Loading branch information
zerothi committed Jun 26, 2024
1 parent 67074d9 commit e995359
Showing 1 changed file with 4 additions and 1 deletion.
5 changes: 4 additions & 1 deletion src/sisl/tests/test_sparse_grid.py
Original file line number Diff line number Diff line change
@@ -1,3 +1,6 @@
# This Source Code Form is subject to the terms of the Mozilla Public
# License, v. 2.0. If a copy of the MPL was not distributed with this
# file, You can obtain one at https://mozilla.org/MPL/2.0/.
import numpy as np
import pytest

Expand Down Expand Up @@ -274,7 +277,7 @@ def test_orbital_products_onthefly_reduction(geometry, psi_values, ncoeffs):
post_reduced = not_reduced.sum(2)
assert reduced.size == post_reduced.size
if ncoeffs == 1:
assert np.allclose(reduced.grid, post_reduced.grid)
assert np.allclose(reduced.grid, post_reduced.grid, atol=1e-7)
else:
assert np.allclose(reduced.reshape(post_reduced.shape), post_reduced)

Expand Down

0 comments on commit e995359

Please sign in to comment.