Skip to content

refactor: remove engine dependency from FilesInputFileParser and upda… - #498

Open
97gamjak wants to merge 3 commits into
devfrom
remove-engine-deps-parser
Open

refactor: remove engine dependency from FilesInputFileParser and upda…#498
97gamjak wants to merge 3 commits into
devfrom
remove-engine-deps-parser

Conversation

@97gamjak

Copy link
Copy Markdown
Collaborator

…te related methods

@97gamjak
97gamjak requested review from ape33 and galjos August 12, 2026 18:34
@pq-perf-bot

pq-perf-bot Bot commented Aug 12, 2026

Copy link
Copy Markdown

⚡ Performance (instruction count) — ✅ no regressions

per-benchmark breakdown
benchmark base Ir PR Ir Δ
bondedForces 38.24M 38.24M -0.00%
boxTransforms 10.67M 10.67M +0.00%
constraints 10.91M 10.91M -0.00%
coulombKernel 5.80M 5.80M +0.00%
forceKernel 14.16M 14.16M -0.00%
integrator 32.44M 32.44M +0.00%
interWater 1681.40M 1681.40M +0.00%
kinetics 8.55M 8.55M +0.00%
linearAlgebra 2.08M 2.08M +0.00%
nonCoulombPairs 5.48M 5.48M +0.00%
shiftVector 5.81M 5.81M +0.00%
virial 10.44M 10.44M +0.00%

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

@codecov

codecov Bot commented Aug 12, 2026

Copy link
Copy Markdown

Codecov Report

❌ Patch coverage is 94.73684% with 1 line in your changes missing coverage. Please review.
✅ Project coverage is 91.02%. Comparing base (f5667ee) to head (a8517a2).

Files with missing lines Patch % Lines
src/setup/intraNonBondedSetup.cpp 80.00% 0 Missing and 1 partial ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##              dev     #498      +/-   ##
==========================================
- Coverage   91.02%   91.02%   -0.01%     
==========================================
  Files         320      320              
  Lines       14563    14567       +4     
  Branches     4825     4828       +3     
==========================================
+ Hits        13256    13259       +3     
- Misses       1221     1222       +1     
  Partials       86       86              

☔ View full report in Codecov by Harness.
📢 Have feedback on the report? Share it here.

🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

Projects

None yet

Development

Successfully merging this pull request may close these issues.

1 participant