central force #5132
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RudolfWeeber
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Aug 2, 2025
RudolfWeeber
commented
- benchmarks: Add periodic skin retuning and improve timing precision
- WIP
- Performance: short range forces low hanging fruits
- Add retune_skin_after_steps parameter to get_timings() for periodic skin adjustment - Retune skin within ±10% of current value to reduce effect of non-deterministic skin tuning reduce effect of non-deterministic skin tuning - Increase timing output to 4 decimal places - Adjust initial skin value and tuning parameters in LJ benchmark - Enable skin retuning every 5 iterations in LJ benchmark
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- avoid a few constructions of ParticleForce - avoid calls to npt and gay-berne if not active - in the linked cell algorithm, first do cell-internal interactions to have better memory locality. Improves thins by ~5% on my system (Intel)
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