Code

Fix unused args#59

Code

Merged

mcocdawc merged 27 commits intomaintroyvvgroup/quemb:mainfrom fix_unused_argstroyvvgroup/quemb:fix_unused_argsCopy head branch name to clipboardDec 11, 2024

+63-258

Commits

Commits on Dec 11, 2024

• fixed ARG errors in shared

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  1c1c1cf

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• fixed ARG error in molbe/ube.py

  mcocdawc

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  6305e87

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• fixed a lot of ARG errors in molbe

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  b0569aa

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• removed unused pfrag.energy method

  mcocdawc

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  d42c8bb

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• explicitly ignore unused *args in lambda

  mcocdawc

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  47ef0b4

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• fixed molbe.misc ARG errors

  mcocdawc

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  629ed07

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• fixed mbe

  mcocdawc

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  41f1c22

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• fixed lo ARG errors

  mcocdawc

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  1146db1

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• removed pert_h

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  f24c680

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• fixed remaining ARG issues in molbe helper

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  18b2613

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• fixed missing mol argument in localize calls

  mcocdawc

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  0406fa1

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• removed ereturn and ebe_hf from be_func_parallel

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  d965e60

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• fixed nonexisting argument in get_scfObj call

  mcocdawc

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  4b4660b

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• fixed remaining issues in molbe

  mcocdawc

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  dbdc3d0

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• removed use_cumulant arg also from some kbe functions

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  mcocdawc

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  b9dd48a

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• fixed some more ARG errors in kbe

  mcocdawc

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  34f3f25

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• removed unused argument in kbe.lo_k

  mcocdawc

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  36155b2

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• fixed a wrong call to initialize in kbe BE

  mcocdawc

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  a1130d1

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• fixed ARG errors in kbe.lo

  mcocdawc

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  20e1b4b

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• cleaned up autofrag

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  9f1e9e8

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• fixed last remaining ARG errors

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  85308f1

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• reenabled other ruff errors

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  a4cd499

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• improved docstring of kbe localize

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  51f9cfe

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• added in missing mo_energy initialisation in kbe BE

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  3f55c12

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• wrote the threshholding in get_full_u_batch nicer

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  c849142

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• fix another passed in argument autofrag

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  800fbdd

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• corrected wrong docstring

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  e2a3a5c

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