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compute mu #278

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Merged
merged 15 commits into from
Dec 30, 2024
Merged

compute mu #278

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5180eeb
initial commit
yucongalicechen Dec 26, 2024
5ff2c23
[pre-commit.ci] auto fixes from pre-commit hooks
pre-commit-ci[bot] Dec 26, 2024
1826221
add packing fraction, add more tests
yucongalicechen Dec 26, 2024
e54f9bb
reformat
yucongalicechen Dec 26, 2024
be7c275
[pre-commit.ci] auto fixes from pre-commit hooks
pre-commit-ci[bot] Dec 26, 2024
9e4bc0d
refine docstring and test comments
yucongalicechen Dec 26, 2024
1879f44
Merge branch 'mucalc' of github.com:yucongalicechen/diffpy.utils into…
yucongalicechen Dec 26, 2024
a108205
merge from main and add tests for unknown materials
yucongalicechen Dec 27, 2024
0bdbbb4
enforce requirement to specify either density or packing fraction
yucongalicechen Dec 28, 2024
00f36ad
add notimplementederror
yucongalicechen Dec 29, 2024
255c603
refactor: rearrange error msg and docstring, update condition in func…
yucongalicechen Dec 29, 2024
5492ad8
test: remove test for the correct mu, improve test comment for invali…
yucongalicechen Dec 30, 2024
a4a217d
test: reformat tests
yucongalicechen Dec 30, 2024
953e187
fix: merge from main and fix conflicts
yucongalicechen Dec 30, 2024
dd52ad9
docs: improve docstring
yucongalicechen Dec 30, 2024
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