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Add uncertainties for main parameters. #299

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Merged
sbillinge merged 7 commits into from
Jun 1, 2026
Merged

Add uncertainties for main parameters. #299

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66076b9
Add uncertainties for main parameters.
Sparks29032 Apr 24, 2026
8aa1867
Works for all parameters now
Sparks29032 May 11, 2026
c0d14bd
Fix other tests
Sparks29032 May 11, 2026
c073f7f
loosen tolerance to 1e-4 from 1e-5
Sparks29032 May 11, 2026
19f8448
Lower tolerance more
Sparks29032 May 11, 2026
faa2edb
Remove comment
Sparks29032 May 15, 2026
d64d8d8
[pre-commit.ci] auto fixes from pre-commit hooks
pre-commit-ci[bot] Jun 1, 2026
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@Sparks29032
Sparks29032 committed Jun 1, 2026
commit faa2edbbc2d5113478a3165bea5434efdb7577db
5 changes: 0 additions & 5 deletions src/diffpy/morph/morph_io.py
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Original file line number Diff line number Diff line change
Expand Up @@ -422,11 +422,6 @@ def multiple_morph_output(
output = f"\n# Target: {target}\n"
else:
output = f"\n# Morph: {target}\n"
# output += "# Optimized morphing parameters:\n"
# output += "\n".join(
# f"# {param} = {morph_results[target][param]:.6f}"
# for param in morph_results[target]
# )

mr_copy = morph_results[target].copy()
uncertainties = uncertainties_dict[target]
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