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Fix get_universal_calculator AttributeError: 'SumCalculator' object has no attribute 'lower' #15

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merged 4 commits into from
Dec 12, 2023

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@janosh janosh commented Dec 12, 2023

From running

from matcalc.util import get_universal_calculator

calculator_mace = get_universal_calculator("mace", model="large", default_dtype="float64", dispersion=True)

Closes #14.

The breaking part: This PR renames matcalc/(util->utils).py.

…as no attribute 'lower'

from running
get_universal_calculator("mace", model="large", default_dtype="float64", dispersion=True)
@janosh janosh added the fix Bug fix label Dec 12, 2023
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codecov bot commented Dec 12, 2023

Codecov Report

All modified and coverable lines are covered by tests ✅

Comparison is base (f8e6edf) 100.00% compared to head (034791f) 100.00%.

❗ Current head 034791f differs from pull request most recent head d28ff2d. Consider uploading reports for the commit d28ff2d to get more accurate results

Additional details and impacted files
@@            Coverage Diff            @@
##              main       #15   +/-   ##
=========================================
  Coverage   100.00%   100.00%           
=========================================
  Files            8         8           
  Lines          271       271           
=========================================
  Hits           271       271           

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@janosh janosh added the breaking Breaking change label Dec 12, 2023
@janosh janosh merged commit 330fecc into main Dec 12, 2023
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@janosh janosh deleted the fix-gh-14 branch December 12, 2023 18:00
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[Bug]: using mace with dispersion results in crash
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