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internal: rename MaceRunner class to AseMaceRunner and ASEQMRunner to AseQMRunner#283

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internal: rename MaceRunner class to AseMaceRunner and ASEQMRunner to AseQMRunner#283
ape33 wants to merge 1 commit into
devfrom
internal/rename-MaceRunner

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@ape33

@ape33 ape33 commented Jun 23, 2026

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This PR solves issue #280

@ape33 ape33 requested a review from galjos June 23, 2026 09:47
@ape33 ape33 added the internal Issues relavant only for developers label Jun 23, 2026
@ape33 ape33 linked an issue Jun 23, 2026 that may be closed by this pull request
@codecov

codecov Bot commented Jun 23, 2026

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Codecov Report

❌ Patch coverage is 50.00000% with 1 line in your changes missing coverage. Please review.
✅ Project coverage is 88.26%. Comparing base (56d4cb3) to head (36adf4b).

Files with missing lines Patch % Lines
include/QM/ase/aseMaceRunner.hpp 0.00% 1 Missing ⚠️
Additional details and impacted files
@@           Coverage Diff           @@
##              dev     #283   +/-   ##
=======================================
  Coverage   88.26%   88.26%           
=======================================
  Files         284      284           
  Lines       10964    10964           
  Branches     3416     3416           
=======================================
  Hits         9677     9677           
  Misses       1247     1247           
  Partials       40       40           

☔ View full report in Codecov by Harness.
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@pq-perf-bot

pq-perf-bot Bot commented Jun 23, 2026

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⚡ Performance (instruction count) — ✅ no regressions

per-benchmark breakdown
benchmark base Ir PR Ir Δ
bondedForces 41.46M 41.46M -0.00%
boxTransforms 10.67M 10.67M +0.00%
constraints 11.38M 11.38M -0.00%
coulombKernel 5.80M 5.80M +0.00%
forceKernel 15.33M 15.33M -0.00%
integrator 32.17M 32.17M -0.00%
kinetics 9.53M 9.53M +0.00%
linearAlgebra 2.08M 2.08M +0.00%
nonCoulombPairs 5.48M 5.48M -0.00%
shiftVector 5.81M 5.81M +0.00%
virial 11.63M 11.63M +0.00%

Deterministic callgrind instruction counts vs the base branch; gated at ±2%. Not wall-clock.

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Rename MaceRunner class to AseMaceRunner

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