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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed Oct 10, 2023
1 parent 8036cfc commit 7d8495b
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Showing 2 changed files with 2 additions and 1 deletion.
2 changes: 1 addition & 1 deletion dpdata/abacus/relax.py
Original file line number Diff line number Diff line change
Expand Up @@ -157,7 +157,7 @@ def get_coords_from_log(loglines, natoms):
# transfer bohrium to angstrom
cells *= bohr2ang
coords *= bohr2ang

if len(stress) > 0:
virial = np.zeros([len(cells), 3, 3])
for i in range(len(cells)):
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1 change: 1 addition & 0 deletions tests/test_abacus_relax.py
Original file line number Diff line number Diff line change
Expand Up @@ -133,5 +133,6 @@ def tearDown(self):
"abacus.relax/STRU",
)


if __name__ == "__main__":
unittest.main()

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