fix: clean miscellaneous errors.#38
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sbillinge merged 3 commits intoPDF-bl:mainfrom Feb 17, 2026
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…; inconsistent variables naming conventions; refinement takes too much time.
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ycexiao
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Feb 16, 2026
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@sbillinge, it's ready for review.
| filename_order_pattern=r"(\d+)K\.gr", | ||
| refinable_variable_names=[ | ||
| "a_1", | ||
| "a_phase_1", |
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Explicit variable name.
| for (key, step), values in self.intermediate_results.items(): | ||
| if (self.iter_count % step) == 0: | ||
| if fitresults_dict is None: | ||
| fitresults_dict = self.save_results(mode="dict") |
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Time-consuming step. Recompute only when fitresults_dict is None.
| from diffpy.structure.parsers import getParser | ||
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| def make_cmi_recipe(cif_path, dat_path, variable_values={}): |
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Use helpful funciton instead of diffpycmi_scripts.py
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What problem does this PR address?
Fix some errors encountered during testing the package at BNL.
including:
What should the reviewer(s) do?