We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
1 parent 4ffe965 commit c94b28fCopy full SHA for c94b28f
tests/openmm_md/conftest.py
@@ -87,7 +87,7 @@ def random_structure(test_dir) -> Structure:
87
struct_file = test_files / "random_structure.json"
88
89
# disable this flag to speed up local testing
90
- regenerate_test_data = True
+ regenerate_test_data = False
91
if regenerate_test_data:
92
struct_file.unlink(missing_ok=True)
93
composition = Composition("Al85Ni10Fe5")
@@ -97,7 +97,6 @@ def random_structure(test_dir) -> Structure:
97
composition=composition,
98
target_atoms=n_atoms,
99
packmol_seed=1,
100
- vol_per_atom_source="icsd",
101
)
102
struct.to_file(str(struct_file))
103
return Structure.from_file(struct_file)
0 commit comments