Node I/O Changes
- add `img_selection = zntrack.outs_path(zntrack.nwd / "selection.png")` to each
`ConfigurationSelection` Node
- add `memory = zntrack.params(1000)` to `ConfigurationComparison`
- add `threshold: float = zntrack.params(None)` to `KernelSelection`
- add `reduction_axis = zntrack.params` and
`dim_reduction: str = zntrack.params` to `ThresholdSelection`
- add `nl_skin: float = params(0.5)` and
`transformations: dict[str, dict] = params(None)` to the `ApaxEnsemble`
- add `BatchKernelSelection`
- add `seed: int = params()` to `ASEMD` and `wrap: bool` to wrap the coordinates
during the simulation
- add `pbc: bool` to `Packmol` to fix PBC not supported by PACKMOL
- add `num_ramp_oscillations: float` to `BoxOscillatingRampModifier`
- remove `train_log_file` from apax Node
- add `density` to `RescaleBoxModifier`
- add `fraction_traceless` parameter to `NPTThermostat`
- add `TorchD3NL` calculator