Improvents in NEB and pseudopotentials#1213

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dbidoggia wants to merge 14 commits intoaiidateam:mainfrom

dbidoggia:pbc-fix-pr

Commits on Sep 15, 2025

Commits on Oct 2, 2025

🐛 Improved NEB parser to deal with calculations interrupted in initial stages
dbidoggia
committed
Temporary fix of pbc extraction from `TrajectoryData`
dbidoggia
committed

Commits on Oct 18, 2025

✨ Add parallelization support and related error handling and tests in NEB calculations
dbidoggia
committed

Commits on Oct 21, 2025

the array for the pbc of the trajectory should be a 1-d [bool, bool, bool]
rikigigi
committed

Commits on Oct 27, 2025

Use 1d PBC array with identical values for all frames instead of per-frame 2d array
dbidoggia
authored

Commits on Nov 19, 2025

Remove manual extraction of PBC from `TrajectoryData` in `NebBaseWorkChain`
dbidoggia
committed

Commits on Nov 21, 2025

🐛 Check and eventually report scheduler exit code before reporting XML parse error in `NebParser`
dbidoggia
committed