From 7be0eb53d9a648fed826e3f39b7375d13b5006a7 Mon Sep 17 00:00:00 2001 From: Shyue Ping Ong Date: Thu, 10 Aug 2023 13:36:35 -0700 Subject: [PATCH] Fix test regression. --- tests/test_eos.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tests/test_eos.py b/tests/test_eos.py index 88ea1ff..34b80e5 100644 --- a/tests/test_eos.py +++ b/tests/test_eos.py @@ -10,11 +10,11 @@ def test_PhononCalc(Li2O, LiFePO4, M3GNetUPCalc): """Tests for PhononCalc class""" calculator = M3GNetUPCalc # Note that the fmax is probably too high. This is for testing purposes only. - pcalc = EOSCalc(calculator) + pcalc = EOSCalc(calculator, fmax=0.01) results = pcalc.calc(Li2O) assert results["bulk_modulus"] == pytest.approx(69.86879801931632, 1e-2) results = list(pcalc.calc_many([Li2O, LiFePO4])) assert len(results) == 2 - assert results[1]["bulk_modulus"] == pytest.approx(51.70659653126171, 1e-2) + assert results[1]["bulk_modulus"] == pytest.approx(53.791519828150925, 1e-2)