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Corrections to NIST dataset#142

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gabrielasd wants to merge 4 commits intomastertheochem/AtomDB:masterfrom fix_nisttheochem/AtomDB:fix_nistCopy head branch name to clipboard

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Commits on Feb 26, 2025

• Fix variable being returned by attribute atmass.

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• Calculate the energy for anions with charge -1.

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Commits on Mar 4, 2025

• Fix NIST dataset tests.

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• Clean up run and test modules.

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