Fixes issues identified by ruff and flake8 in pbe.py
#56
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mcocdawc
reviewed
Dec 11, 2024
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Resolves #44 |
Also renamed `Frags.energy` to `Frags.update_ebe`. In both cases this makes the purpose and side-effects of the function more clear. Note that Frags.energy does not appear to be used anywhere in the code, however.
(happened after talking to Shaun)
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Addresses warnings of type
F841andPLC0415in modulepbe.py. Also changes an ambiguous variable nameIto the more descriptfidx.Full breakdown:
src/quemb/kbe/pbe.py:498:9: F841 Local variable
EH1is assigned to but never usedsrc/quemb/kbe/pbe.py:499:9: F841 Local variable
ECOULis assigned to but never usedsrc/quemb/kbe/pbe.py:500:9: F841 Local variable
EFis assigned to but never usedsrc/quemb/kbe/pbe.py:672:17: F841 Local variable
eh1is assigned to but never usedsrc/quemb/kbe/pbe.py:672:22: F841 Local variable
ecoulis assigned to but never usedsrc/quemb/kbe/pbe.py:672:29: F841 Local variable
efis assigned to but never usedsrc/quemb/kbe/pbe.py:899:5: PLC0415
importshould be at the top-level of a filesrc/quemb/kbe/pbe.py:911:5: PLC0415
importshould be at the top-level of a file