Feat/hybrid center xyz file

[ape33]

This PR solves issue #467

[pq-perf-bot]

⚡ Performance (instruction count) — ✅ no regressions

per-benchmark breakdown

benchmark	base Ir	PR Ir	Δ
bondedForces	38.24M	38.25M	+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	+0.01%	✅
virial	10.44M	10.44M	+0.00%	✅

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

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 91.04%. Comparing base (298c4bb) to head (4920f2c).
⚠️ Report is 9 commits behind head on dev.

Additional details and impacted files

@@            Coverage Diff             @@
##              dev     #496      +/-   ##
==========================================
- Coverage   91.13%   91.04%   -0.09%     
==========================================
  Files         319      321       +2     
  Lines       14540    14599      +59     
  Branches     4820     4839      +19     
==========================================
+ Hits        13251    13292      +41     
- Misses       1203     1221      +18     
  Partials       86       86              

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