phonopy / phono3py

A simulation package of phonon-phonon interaction related properties
http://phonopy.github.io/phono3py/
BSD 3-Clause "New" or "Revised" License
117 stars 54 forks source link

Preliminary support of symfc #238

Closed atztogo closed 2 months ago

atztogo commented 2 months ago

Symfc can be used to calculate supercell fc3.

codecov[bot] commented 2 months ago

Codecov Report

Attention: Patch coverage is 97.14286% with 1 line in your changes missing coverage. Please review.

Project coverage is 66.34%. Comparing base (a5a5615) to head (ce96f84). Report is 90 commits behind head on develop.

Files Patch % Lines
phono3py/cui/phono3py_argparse.py 0.00% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## develop #238 +/- ## =========================================== + Coverage 65.10% 66.34% +1.24% =========================================== Files 71 72 +1 Lines 12693 12638 -55 =========================================== + Hits 8264 8385 +121 + Misses 4429 4253 -176 ```

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