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Merge branch 'dev' of https://github.com/LouConreux/lute into dev
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LouConreux committed Dec 12, 2024
2 parents f75e4a6 + d12e239 commit 1a57e9e
Showing 1 changed file with 3 additions and 1 deletion.
4 changes: 3 additions & 1 deletion lute/tasks/geom_opt.py
Original file line number Diff line number Diff line change
Expand Up @@ -436,7 +436,9 @@ def bayes_opt_center(
score = len(sg.geometry_refinement.data)
residual = 0
if score != 0:
residual = sg.geometry_refinement.refine3(fix=["rot1", "rot2", "rot3", "wavelength"])
residual = sg.geometry_refinement.refine3(
fix=["rot1", "rot2", "rot3", "wavelength"]
)
params = sg.geometry_refinement.param
result = {
"bo_history": bo_history,
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