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central force#5132

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RudolfWeeber wants to merge 6 commits intoespressomd:pythonfrom
RudolfWeeber:central_force
Closed

central force#5132
RudolfWeeber wants to merge 6 commits intoespressomd:pythonfrom
RudolfWeeber:central_force

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@RudolfWeeber
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  • 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
- 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)
@RudolfWeeber
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I'm closgin this, as we will not keep the non-cabana based short range forece calculation.
the Cabana-based code has most of these improvements.

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