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Vampire_interface (pymatgen/analysis/magnetism/heisenberg.py:323:) #4112

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ghlam14 opened this issue Oct 15, 2024 · 0 comments
Open

Vampire_interface (pymatgen/analysis/magnetism/heisenberg.py:323:) #4112

ghlam14 opened this issue Oct 15, 2024 · 0 comments
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@ghlam14
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ghlam14 commented Oct 15, 2024

Python version

python 3.10

Pymatgen version

2024.10.3

Operating system version

ubuntu 20.04lts

Current behavior

pymatgen/analysis/magnetism/heisenberg.py:323: FutureWarning: The behavior of DataFrame concatenation with empty or all-NA entries is deprecated. In a future version, this will no longer exclude empty or all-NA columns when determining the result dtypes. To retain the old behavior, exclude the relevant entries before the concat operation.
temp_df = pd.concat([ex_mat, ex_row], ignore_index=True)
/home/ssd/.local/lib/python3.10/site-packages/pymatgen/analysis/magnetism/heisenberg.py:328: FutureWarning: The behavior of DataFrame concatenation with empty or all-NA entries is deprecated. In a future version, this will no longer exclude empty or all-NA columns when determining the result dtypes. To retain the old behavior, exclude the relevant entries before the concat operation.
ex_mat = pd.concat([ex_mat, ex_row], ignore_index=True)

Expected Behavior

pymatgen/analysis/magnetism/heisenberg.py:323: FutureWarning: The behavior of DataFrame concatenation with empty or all-NA entries is deprecated. In a future version, this will no longer exclude empty or all-NA columns when determining the result dtypes. To retain the old behavior, exclude the relevant entries before the concat operation.
temp_df = pd.concat([ex_mat, ex_row], ignore_index=True)
/home/ssd/.local/lib/python3.10/site-packages/pymatgen/analysis/magnetism/heisenberg.py:328: FutureWarning: The behavior of DataFrame concatenation with empty or all-NA entries is deprecated. In a future version, this will no longer exclude empty or all-NA columns when determining the result dtypes. To retain the old behavior, exclude the relevant entries before the concat operation.
ex_mat = pd.concat([ex_mat, ex_row], ignore_index=True)

Minimal example

No response

Relevant files to reproduce this bug

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@ghlam14 ghlam14 added the bug label Oct 15, 2024
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