From feb22c22c1b77f8da34f07237504a8161282ef1a Mon Sep 17 00:00:00 2001 From: Atsushi Togo Date: Sun, 25 Aug 2024 17:17:37 +0900 Subject: [PATCH] Prefer symbols to numbers when creating PhonopyAtoms --- test/interface/test_phono3py_yaml.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/test/interface/test_phono3py_yaml.py b/test/interface/test_phono3py_yaml.py index 6702c50f..4972544c 100644 --- a/test/interface/test_phono3py_yaml.py +++ b/test/interface/test_phono3py_yaml.py @@ -31,7 +31,7 @@ def test_read_phono3py_yaml(): [0.0, 0.5, 0.0], [0.0, 0.0, 0.5], ], - numbers=[11, 11, 11, 11, 17, 17, 17, 17], + symbols=["Na", "Na", "Na", "Na", "Cl", "Cl", "Cl", "Cl"], ) assert isclose(cell, cell_ref)