Week 2 — molecular dynamics: four views of one trajectory

2D Lennard-Jones argon · reduced units (kB=m=1) no data
Frame format and loading a trajectory

traj.jsonl contains one JSON object per sampled frame, one object per line. The viewer skips blank and malformed lines. All quantities use reduced units with kB = m = 1 in two dimensions.

KeyTypeMeaning
stepintegerProduction step index
tfloatProduction time, step × dt
posarray of [x, y]One wrapped position per atom
velarray of [vx, vy]One velocity per atom
E_potfloatTotal shifted Lennard-Jones potential energy
E_kinfloatTotal kinetic energy

Optional run.json supplies n, rho, box as [Lx, Ly], dt, temperature, and ramp_to for heating runs. The box fixes the periodic geometry; without it the viewer estimates dimensions from position extents. Temperature and ramp_to define the target temperature history.

Locally, drop traj.jsonl and its run.json onto this page, or use choose file(s)…. To add metadata afterwards, use load run.json…. A new trajectory replaces the previous run metadata.

To share a committed recording, open this course page with ?src= followed by the raw GitHub URL of traj.jsonl. The viewer looks for run.json beside it. Press save PNG or s to save a frame with its readouts. Space toggles playback; the arrow keys step through frames.

The md command contract specifies the simulator interface. The physics gate contract specifies the complete required metadata, sample chronology, and checks. See also the viewer guide.

drop traj.jsonl (and run.json) to load