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Preliminary support of symfc #238

Merged
merged 2 commits into from
Jun 19, 2024
Merged

Preliminary support of symfc #238

merged 2 commits into from
Jun 19, 2024

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atztogo
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@atztogo atztogo commented Jun 19, 2024

Symfc can be used to calculate supercell fc3.

  • Added --symfc option.
  • Cutoff distance is not supported yet.
  • Most of tests with ALM were replaced by those using symfc except for those using cutoff distance.

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codecov bot commented Jun 19, 2024

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 ⚠️
Additional details and impacted files
@@             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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@atztogo atztogo merged commit 606407b into develop Jun 19, 2024
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@atztogo atztogo deleted the symfc branch June 19, 2024 06:48
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