fix: refresh Langevin sigma on friction changes#273
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Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## dev #273 +/- ##
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Coverage 88.12% 88.12%
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Files 283 283
Lines 10874 10875 +1
Branches 3376 3376
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+ Hits 9583 9584 +1
Misses 1251 1251
Partials 40 40 ☔ View full report in Codecov by Harness. 🚀 New features to boost your workflow:
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⚡ Performance (instruction count) — ✅ no regressionsper-benchmark breakdown
Deterministic callgrind instruction counts vs the base branch; gated at ±2%. Not wall-clock. |
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Summary
LangevinThermostat::_sigmainsidesetFriction().Root cause
The Langevin noise amplitude is derived from friction and target temperature.
setTargetTemperature()already refreshed_sigma, butsetFriction()left the dependent state stale.Validation
cmake --build build-stochastic-rescale-ci --target testThermostat --parallel 4build-stochastic-rescale-ci/tests/src/thermostat/testThermostatReference