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pre-commit auto-fixes
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pre-commit-ci[bot] committed Apr 30, 2024
1 parent 32b0efd commit 26bc81b
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Showing 3 changed files with 7 additions and 7 deletions.
4 changes: 2 additions & 2 deletions tests/io/lobster/density.vasp
Original file line number Diff line number Diff line change
Expand Up @@ -3,11 +3,11 @@ VolumetricData
4.000000 0.000000 0.000000
0.000000 4.000000 0.000000
0.000000 0.000000 4.000000
O
O
1
Direct
0.000000 0.000000 0.000000

40 40 40
0.51306966662E+02 0.11066225760E+01 0.39494004837E+00 0.94460660690E+00 0.82138491962E+00
0.54680617944E+00 0.32689911970E+00 0.18591652486E+00 0.10318058689E+00 0.56586967925E-01
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6 changes: 3 additions & 3 deletions tests/io/lobster/test_inputs.py
Original file line number Diff line number Diff line change
Expand Up @@ -2421,12 +2421,12 @@ def test_write_file(self):
filename=f"{TEST_DIR}/LCAOWaveFunctionAfterLSO1PlotOfSpin1Kpoint1band1.gz",
structure=Structure.from_file(f"{TEST_DIR}/POSCAR_O.gz"),
)
wave1.write_file(filename=f"./wavecar_test.vasp", part="real")
wave1.write_file(filename="./wavecar_test.vasp", part="real")
assert os.path.isfile("wavecar_test.vasp")

wave1.write_file(filename=f"./wavecar_test.vasp", part="imaginary")
wave1.write_file(filename="./wavecar_test.vasp", part="imaginary")
assert os.path.isfile("wavecar_test.vasp")
wave1.write_file(filename=f"./density.vasp", part="density")
wave1.write_file(filename="./density.vasp", part="density")
assert os.path.isfile("density.vasp")


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4 changes: 2 additions & 2 deletions tests/io/lobster/wavecar_test.vasp
Original file line number Diff line number Diff line change
Expand Up @@ -3,11 +3,11 @@ VolumetricData
4.000000 0.000000 0.000000
0.000000 4.000000 0.000000
0.000000 0.000000 4.000000
O
O
1
Direct
0.000000 0.000000 0.000000

40 40 40
-.64589500000E+01 -.94858100000E+00 0.56668000000E+00 0.87639200000E+00 0.81723400000E+00
0.66679100000E+00 0.51556100000E+00 0.38880500000E+00 0.28964900000E+00 0.21450200000E+00
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