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Zmat params #780

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merged 3 commits into from
Jan 12, 2025

Tests: converter add_atom_to_xyz_using_internal_coords()

c3ea0ba
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Merged

Zmat params #780

Tests: converter add_atom_to_xyz_using_internal_coords()
c3ea0ba
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Codecov / codecov/project succeeded Jan 2, 2025 in 0s

74.09% (+0.03%) compared to 35dcafa

View this Pull Request on Codecov

74.09% (+0.03%) compared to 35dcafa

Details

Codecov Report

Attention: Patch coverage is 79.31034% with 36 lines in your changes missing coverage. Please review.

Project coverage is 74.09%. Comparing base (35dcafa) to head (c3ea0ba).

Files with missing lines Patch % Lines
arc/species/converter.py 75.51% 29 Missing and 7 partials ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #780      +/-   ##
==========================================
+ Coverage   74.06%   74.09%   +0.03%     
==========================================
  Files         101      101              
  Lines       28054    28227     +173     
  Branches     5872     5883      +11     
==========================================
+ Hits        20777    20916     +139     
- Misses       5803     5831      +28     
- Partials     1474     1480       +6     

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