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if dat_file is inputted and formula is not, have formula not be injec… - #13

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crhysc wants to merge 1 commit into
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crhysc:bugfix/no-chem-formula-diffractgpt
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crhysc wants to merge 1 commit into
atomgptlab:mainfrom
crhysc:bugfix/no-chem-formula-diffractgpt

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Commits on Jan 2, 2026