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ENH: Add support for new CP2K potentials #299

Merged
merged 1 commit into from
Apr 25, 2023
Merged

ENH: Add support for new CP2K potentials #299

merged 1 commit into from
Apr 25, 2023

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BvB93
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@BvB93 BvB93 commented Apr 25, 2023

  • opbend
  • allegro
  • gal21
  • nequip
  • tabpot

* opbend
* allegro
* gal21
* nequip
* tabpot
@BvB93 BvB93 added this to the release 1.0 milestone Apr 25, 2023
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codecov bot commented Apr 25, 2023

Codecov Report

Merging #299 (a6c0012) into master (e6a9eb4) will decrease coverage by 1.44%.
The diff coverage is n/a.

@@            Coverage Diff             @@
##           master     #299      +/-   ##
==========================================
- Coverage   84.41%   82.97%   -1.44%     
==========================================
  Files          60       60              
  Lines        2444     2444              
  Branches      481      427      -54     
==========================================
- Hits         2063     2028      -35     
- Misses        285      307      +22     
- Partials       96      109      +13     
Impacted Files Coverage Δ
src/qmflows/cp2k_utils.py 89.30% <ø> (-1.07%) ⬇️

... and 8 files with indirect coverage changes

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@BvB93 BvB93 merged commit e30361c into master Apr 25, 2023
@BvB93 BvB93 deleted the pot branch April 25, 2023 13:49
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