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COBI COOP extension #128

Merged
merged 17 commits into from
Sep 14, 2023
Merged

COBI COOP extension #128

merged 17 commits into from
Sep 14, 2023

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naik-aakash
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@naik-aakash naik-aakash commented Jul 28, 2023

This PR links to #125

Todos

  • Add tests for analyze and describe
  • Fix bugs
  • Update documentation
  • Update describe module and automatic plots
  • Update Interactiveplotter to work for cobi and coop
  • update cli
  • add cli tests for coop/cobi

@naik-aakash naik-aakash changed the base branch from cobi_coop_extension to main July 31, 2023 11:42
@naik-aakash
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naik-aakash commented Jul 31, 2023

Hi @JaGeo, I will hold on to add tests until #102 is merged. I could then reuse test files from there.

Currently, the existing tests are failing as it needs a new release of pymatgen with coop and cobi functionality implemented recently > Update to LobsterNeighbors to work for coop/cobi

@JaGeo
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JaGeo commented Jul 31, 2023

@naik-aakash you could ask for such a release already

@naik-aakash naik-aakash self-assigned this Aug 17, 2023
@naik-aakash naik-aakash added the enhancement New feature or request label Aug 17, 2023
@naik-aakash naik-aakash changed the title [WIP] Cobi coop extension Cobi coop extension Aug 18, 2023
@naik-aakash naik-aakash changed the title Cobi coop extension COBI COOP extension Aug 18, 2023
@naik-aakash
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This PR is ready for review. 😃

@naik-aakash
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Should also Close #21 ?

@@ -13,7 +14,7 @@
TestDir = CurrentDir / "../../"


class InteractiveCohpPlotterTest(unittest.TestCase):
class PlainInteractiveCohpPlotterTest(unittest.TestCase):
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Is this okay? Not sure why it is called Plain now?

@JaGeo
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JaGeo commented Sep 6, 2023

Could you also resolve the conflicts, @naik-aakash ? Thanks!

@naik-aakash
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Could you also resolve the conflicts, @naik-aakash ? Thanks!

Done

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I have tested the obvious cases. Text, automatic plot and interactive automatic plot reflect the change to COBI, COOP

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JaGeo commented Sep 13, 2023

once the merge conflicts are solved, I can merge.

@naik-aakash
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Thanks @JaGeo , will resolve them as soon as possible today

@naik-aakash
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Hi @JaGeo , issues are resolved so this could be merged 😄

@JaGeo JaGeo merged commit 990082f into JaGeo:main Sep 14, 2023
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@naik-aakash naik-aakash deleted the cobi_coop_extension branch June 20, 2024 06:55
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2 participants