Coverage for gpaw/test/test_atomic_el_pot.py: 100%
7 statements
« prev ^ index » next coverage.py v7.7.1, created at 2025-07-14 00:18 +0000
« prev ^ index » next coverage.py v7.7.1, created at 2025-07-14 00:18 +0000
1import pytest
2from gpaw import GPAW
5def test_atomic_el_pot(gpw_files):
6 calc = GPAW(gpw_files['h2_pw'])
7 values = calc.get_atomic_electrostatic_potentials()
8 ref = -49.48543067
9 assert values == pytest.approx([ref, ref], abs=1e-4)