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Inputs - JDFTx IO Module#4189

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benrich37 wants to merge 15 commits intomaterialsproject:mastermaterialsproject/pymatgen:masterfrom benrich37:feature-jdftx-inputsbenrich37/pymatgen:feature-jdftx-inputsCopy head branch name to clipboard

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Commits on Nov 21, 2024

• JDFTx IO module - input submodules

  benrich37

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• JDFTx IO module - input submodules testing

  benrich37

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• Moving "flatten_list" utility function to "generic_tags" submodule and deleting "_input_utils.py" as it contained only one method that was used once in "generic_tags.py"

  benrich37

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• privatizing utility method "flatten_list"

  benrich37

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Commits on Nov 22, 2024

• Update from master

  benrich37

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• empty file for tmp

  benrich37

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• Update from master

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Commits on Nov 25, 2024

• explicit testing of "initial-magnetic-moments"

  benrich37

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Commits on Nov 26, 2024

• Correction for ruff - PLC0206 (Extracting value from dictionary without calling .items()) - This does not appear in my local pre-commit (which I believe is running correctly) but started causing …

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Commits on Nov 28, 2024

• changing the previous "as_dict" method to be private, making a public "as_dict" method that passes through the __setitem__ method so that the values within the dictionary fed to "as_dict" can be as…

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  6cec582

Commits on Dec 4, 2024

• Partial cleanup of tests

  benrich37

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• Partial cleanup of tests

  benrich37

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• Partial cleanup of tests

  benrich37

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Commits on Dec 10, 2024

• Cleanup of inputs - homogenized wording in error messages, added value validation methods to AbstractTag for validations that are called multiple times, cleaned up cluttered tests and added comment…

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  d391836

Commits on Dec 12, 2024

• Merge branch 'materialsproject:master' into feature-jdftx-inputs

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