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migrate to vesin for neighbour lists #120

Merged
merged 3 commits into from
Feb 15, 2025
Merged

migrate to vesin for neighbour lists #120

merged 3 commits into from
Feb 15, 2025

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jla-gardner
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codecov bot commented Feb 15, 2025

Codecov Report

Attention: Patch coverage is 86.36364% with 3 lines in your changes missing coverage. Please review.

Project coverage is 91.04%. Comparing base (27099e1) to head (6293a99).
Report is 1 commits behind head on main.

Files with missing lines Patch % Lines
src/graph_pes/utils/calculator.py 76.92% 3 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #120      +/-   ##
==========================================
- Coverage   91.09%   91.04%   -0.05%     
==========================================
  Files          40       40              
  Lines        3211     3229      +18     
  Branches      343      343              
==========================================
+ Hits         2925     2940      +15     
- Misses        169      172       +3     
  Partials      117      117              

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@jla-gardner jla-gardner merged commit b699948 into main Feb 15, 2025
8 of 10 checks passed
@jla-gardner jla-gardner deleted the vesin branch February 15, 2025 11:08
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