[paulsaxe]

• The record of the MD runs that analysis steps read (Viscosity, Diffusivity,
  Liquid Structure, Dielectric Constant, Ionic Conductivity) now comes back from
  a parallel loop: each iteration's runs are added in iteration order, as after a
  serial loop. Independent MD runs in a loop can now run in parallel and be
  analyzed together after it, with "the last MD run of each loop iteration".
  Before, the steps after a parallel loop did not see its runs.
• Bugfix: the runs of a skipped iteration, whose directory is removed, are no
  longer left in the record, where they named files that no longer existed.
• A parallel loop over one structure now warns, before the job runs, about each
  step in its body that writes its structure over the current configuration --
  the default of MD and optimization steps -- since two iterations changing the
  structure cannot be merged. The warning offers to discard the structure (for
  independent runs such as MD replicas) or to create a new configuration. The
  warning is repeated in the job's output when the loop starts.
• Requires seamm 2026.10.17, in which the sub-steps of steps such as LAMMPS keep
  their citations and files in their own iteration; before, iterations running
  together could fail on the job's shared citations. Requires molsystem
  2026.10.17, in which iterations that change a structure in the same way (for
  example by reading its spin multiplicity) no longer conflict.
• Internal: the source distribution now includes the files needed to build the
  package from it.

🤖 Generated with Claude Code

[seamm]

LGTM