Prefer symbols to numbers when creating PhonopyAtoms

2024-08-25 17:17:37 +09:00 · 2024-08-25 17:17:37 +09:00 · feb22c22c1
parent 20d7c86621
commit feb22c22c1
1 changed files with 1 additions and 1 deletions
--- 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)