Handle simulation edge cases safely

[galjos]

Fixes five simulation edge cases: AppleClang destruction of ParameterFileReader, invalid cell-list dimensions, single-step progress output, zero-temperature rescaling, and temperature ramps with a partial final interval. Invalid ramp schedules are rejected before thermostat state is changed.

Validated by eight focused test targets.

Closes #379.

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 89.84%. Comparing base (e93036c) to head (58c98bd).

Additional details and impacted files

@@            Coverage Diff             @@
##              dev     #385      +/-   ##
==========================================
+ Coverage   89.81%   89.84%   +0.03%     
==========================================
  Files         293      293              
  Lines       11421    11458      +37     
  Branches     3601     3617      +16     
==========================================
+ Hits        10258    10295      +37     
  Misses       1122     1122              
  Partials       41       41              

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[pq-perf-bot]

⚡ Performance (instruction count) — ✅ no regressions

per-benchmark breakdown

benchmark	base Ir	PR Ir	Δ
bondedForces	41.46M	41.46M	-0.00%	✅
boxTransforms	10.67M	10.67M	+0.00%	✅
constraints	11.38M	11.38M	-0.00%	✅
coulombKernel	5.80M	5.80M	+0.00%	✅
forceKernel	15.33M	15.33M	+0.00%	✅
integrator	32.17M	32.17M	-0.00%	✅
kinetics	9.53M	9.53M	+0.00%	✅
linearAlgebra	2.07M	2.07M	+0.00%	✅
nonCoulombPairs	5.48M	5.48M	-0.00%	✅
shiftVector	5.81M	5.81M	+0.00%	✅
virial	11.64M	11.63M	-0.07%	✅

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

[97gamjak]

olease split this Pr into single PRs