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[pre-commit.ci] auto fixes from pre-commit.com hooks
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dpdata/lammps/dump.py

Lines changed: 1 addition & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -225,17 +225,14 @@ def get_spin_keys(inputfile):
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def get_spin(lines, spin_keys):
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"""
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Get the spin info from the dump file.
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Parameters
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----------
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lines : list
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The content of the dump file.
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spin_keys : list
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The keys for spin info in dump file.
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the spin info is stored in sp, spx, spy, spz or spin_keys, which is the spin norm and the spin vector
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spin_keys may be like: c_spin[1], c_spin[2], c_spin[3], c_spin[4]
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ITEM: ATOMS id type x y z c_spin[1] c_spin[2] c_spin[3] c_spin[4] c_spin[5] c_spin[6] c_spin[7] c_spin[8] c_spin[9] c_spin[10]
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1 1 0.00141160 5.64868599 0.01005602 1.54706291 0.00000000 0.00000000 1.00000000 -1.40772100 -2.03739417 -1522.64797384 -0.00397809 -0.00190426 -0.00743976
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"""
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blk, head = _get_block(lines, "ATOMS")

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