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Add element check + new scheme #5

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akvatol wants to merge 4 commits into mpds-io:master from akvatol:struct

akvatol commented Nov 27, 2024

Add options to check elements consistency for structures

akvatol added 4 commits

July 31, 2024 03:45


          First iteration of new metallic scheme

3a90780


          fix pep8

b3553e1


          update ext scheme

debf679


          add element check

23cfd3f

pep8speaks commented Nov 27, 2024

Hello @akvatol! Thanks for opening this PR. We checked the lines you've touched for PEP 8 issues, and found:

In the file scripts/aiida_submit_ext_scheme.py:

Line 14:80: E501 line too long (88 > 79 characters)
Line 18:80: E501 line too long (85 > 79 characters)
Line 19:80: E501 line too long (86 > 79 characters)
Line 51:80: E501 line too long (83 > 79 characters)

blokhin changed the title ~~add element check~~ Add element check + new scheme

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