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phonopy / phelel

BSD 3-Clause "New" or "Revised" License
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Fix velph-selfenergy-generate (issue #28) #29

Closed atztogo closed 2 months ago

atztogo commented 2 months ago

This commit fixes issue #28.

Note that the command name velph-elph has been changed to velph-selfenergy. Previously, self-energy and transport calculations were variants of velph-elph, but they are now considered independent calculation types.

codecov-commenter commented 2 months ago

Codecov Report

Attention: Patch coverage is 19.56522% with 37 lines in your changes missing coverage. Please review.

Project coverage is 73.27%. Comparing base (79725c8) to head (2c84432). Report is 25 commits behind head on develop.

Files with missing lines Patch % Lines
src/phelel/velph/cli/selfenergy/generate.py 5.55% 17 Missing :warning:
src/phelel/velph/cli/hints/__init__.py 0.00% 16 Missing :warning:
src/phelel/velph/cli/selfenergy/__init__.py 60.00% 2 Missing :warning:
src/phelel/velph/cli/transport/__init__.py 50.00% 1 Missing :warning:
src/phelel/velph/cli/transport/generate.py 50.00% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## develop #29 +/- ## =========================================== - Coverage 73.42% 73.27% -0.16% =========================================== Files 74 75 +1 Lines 5223 5320 +97 =========================================== + Hits 3835 3898 +63 - Misses 1388 1422 +34 ```

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