Merge pull request #67 from phonopy/fix-tests

Fix tests for the last update of KPOINTS write in velph
phonopy · Feb 25, 2025 · 29b58d2 · 29b58d2
2 parents 93bff74 + 7409c4b
commit 29b58d2
Showing 1 changed file with 10 additions and 9 deletions.
diff --git a/test/velph/utils/test_vasp.py b/test/velph/utils/test_vasp.py
@@ -89,7 +89,7 @@ def test_write_kpoints_mesh_mode():
 0
 Gamma
             8             8             8
-  0.000000000   0.000000000   0.000000000"""
+  0.0000000000000000   0.0000000000000000   0.0000000000000000"""
     kpoints_str = _get_str_of_write_kpoints_mesh_mode(toml_str)
     assert kpoints_str == ref_str
 
@@ -104,10 +104,10 @@ def test_write_kpoints_mesh_mode_grg():
     ref_str = """# Generated by velph
 0
 Reciprocal
-  0.000000000   0.045454545   0.045454545
-  0.045454545   0.000000000   0.045454545
-  0.045454545   0.045454545   0.000000000
-  0.000000000   0.000000000   0.000000000"""
+  0.0000000000000000   0.0454545454545455   0.0454545454545455
+  0.0454545454545455   0.0000000000000000   0.0454545454545455
+  0.0454545454545455   0.0454545454545455   0.0000000000000000
+  0.0000000000000000   0.0000000000000000   0.0000000000000000"""
     kpoints_str = _get_str_of_write_kpoints_mesh_mode(toml_str)
     assert kpoints_str == ref_str
 
@@ -126,11 +126,12 @@ def test_write_kpoints_mesh_mode_grg_tio2_prim():
     ref_str = """# Generated by velph
 0
 Reciprocal
- -0.062500000   0.062500000   0.062500000
-  0.062500000  -0.062500000   0.062500000
-  0.166666667   0.166666667  -0.166666667
-  0.000000000   0.000000000   0.000000000"""
+ -0.0625000000000000   0.0625000000000000   0.0625000000000000
+  0.0625000000000000  -0.0625000000000000   0.0625000000000000
+  0.1666666666666667   0.1666666666666667  -0.1666666666666667
+  0.0000000000000000   0.0000000000000000   0.0000000000000000"""
     kpoints_str = _get_str_of_write_kpoints_mesh_mode(toml_str)
+
     assert kpoints_str == ref_str