Configuration

PILOTS is configured with an INI file. A typical layout is:

[general]
input = dump.lammpstrj
dt = 0.01
output_dir = ./out

[groups]
...

[measure.msd]
type = msd
enabled = true
group = all

[general]

input

Path to the LAMMPS text dump file.

dt

Time step in simulation units. Used to convert frame lags into physical time.

output_dir

Directory for text outputs, results.json, and checkpoints.

follow

If true, PILOTS blocks at EOF and waits for new frames appended to the dump file.

flush_every_frames / flush_every_seconds

Periodic partial output and results.json updates during long runs.

checkpoint_out / resume_from

Binary checkpointing and resume.

Measures

Each measure is configured in a section named [measure.<instance>]. At minimum, define:

type

The registered measure type, for example msd.

enabled

Whether the measure is active.

Common measure-level keys include group, topo_group, combine, output, frame_start, and frame_end.

See also: Selections, Topology, Mapping, and Measures Reference.