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Separate input writer from pyiron #1270

Merged
merged 29 commits into from
Jan 19, 2024
Merged

Separate input writer from pyiron #1270

merged 29 commits into from
Jan 19, 2024

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samwaseda
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@samwaseda samwaseda commented Dec 24, 2023

My Christmas vacation work

Main changes:

  • InputWriter does not exist anymore - it also made very little sense before
    • copy_potentials and write_spin_constraints are now independent functions
    • copy_potentials does very little right now - I'm not even sure if it merits to be an independent function
  • structure group is separated

@samwaseda samwaseda marked this pull request as draft December 24, 2023 17:32
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As it turned out that there are quite a few things to be done, it’s probably going to stay draft for some time

@samwaseda samwaseda marked this pull request as ready for review December 31, 2023 13:10
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Obviously the input writers are not totally separated, but since there are already so many lines that got changed, I’m gonna stop for this PR. Following the comments from @liamhuber and @niklassiemer I leave DataContainer inside.

@samwaseda samwaseda added integration Start the notebook integration tests for this PR format_black reformat the code using the black standard and removed format_black reformat the code using the black standard labels Jan 1, 2024
@samwaseda samwaseda merged commit bb3cb37 into main Jan 19, 2024
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@samwaseda samwaseda deleted the spx_input_parser branch January 19, 2024 22:38
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2 participants