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feat: allow using mapping from LAMMPS #38

Merged
merged 9 commits into from
Nov 23, 2024
Merged

feat: allow using mapping from LAMMPS #38

merged 9 commits into from
Nov 23, 2024

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njzjz
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@njzjz njzjz commented Nov 23, 2024

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@njzjz njzjz requested a review from Copilot November 23, 2024 06:04
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Copilot reviewed 3 out of 3 changed files in this pull request and generated 3 suggestions.

deepmd_gnn/env.py Outdated Show resolved Hide resolved
deepmd_gnn/mace.py Outdated Show resolved Hide resolved
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codecov bot commented Nov 23, 2024

Codecov Report

Attention: Patch coverage is 62.50000% with 3 lines in your changes missing coverage. Please review.

Project coverage is 89.79%. Comparing base (0d51c62) to head (48edc0f).
Report is 3 commits behind head on master.

Files with missing lines Patch % Lines
deepmd_gnn/mace.py 50.00% 3 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master      #38      +/-   ##
==========================================
- Coverage   90.24%   89.79%   -0.46%     
==========================================
  Files           5        6       +1     
  Lines         482      490       +8     
==========================================
+ Hits          435      440       +5     
- Misses         47       50       +3     

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@njzjz njzjz merged commit 94f4398 into master Nov 23, 2024
8 of 10 checks passed
@njzjz njzjz deleted the DP_GNN_USE_MAPPING branch November 23, 2024 06:14
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