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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed May 20, 2024
1 parent 814a6a9 commit 1a49e2c
Showing 1 changed file with 8 additions and 14 deletions.
22 changes: 8 additions & 14 deletions tests/test_abacus_deltaspin.py
Original file line number Diff line number Diff line change
@@ -1,29 +1,23 @@
from __future__ import annotations

import os
import shutil
import unittest

import numpy as np
from context import dpdata

from dpdata.unit import LengthConversion

class TestDeltaSpin():
"""Make a test for the DeltaSpin module in ABACUS
"""
class TestDeltaSpin:
"""Make a test for the DeltaSpin module in ABACUS"""

def OUTABACUS_to_system():
data = dpdata.LabeledSystem('./abacus.scf.deltaspin', fmt = 'abacus/scf')
data = dpdata.LabeledSystem("./abacus.scf.deltaspin", fmt="abacus/scf")
print(data)

def system_to_npy():
data = dpdata.LabeledSystem('./abacus.scf.deltaspin', fmt = 'abacus/scf').to_deepmd_npy('./abacus.scf.deltaspin/')
data = dpdata.LabeledSystem(
"./abacus.scf.deltaspin", fmt="abacus/scf"
).to_deepmd_npy("./abacus.scf.deltaspin/")
print(data)




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

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