PILOTS Manual
PILOTS is a trajectory-analysis runner for large-scale molecular simulations with three priorities:
Scientific correctness — fail fast on missing fields, keep selections auditable, and preserve identity consistency when a measure requires it.
Single-pass analysis — run multiple measures in one trajectory pass.
Engineering reliability — support follow mode, periodic flushing, and checkpoint/resume for long jobs.
For most users, the shortest path through the manual is:
User Guide
Measure Reference
- Measures Reference
- Common conventions
- MSD and single-particle glassy dynamics
- Polymer dynamics and static chain measures
- Structure and van Hove family
- Dielectric and orientation / relaxation family
- Transport family
- Profiles, coordination, and box statistics
- Insertion and slab-kernel calibration family
- Anisotropy, geometry, dynamic heterogeneity, and local structure
- Implementation notes for maintainers
Internals and Extension