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MolecularIn preparation
LAMMPS, atomsin the millions
A classical molecular dynamics engine built to scale.From Lennard-Jones to machine-learned potentials.
Not on the hub yet The image and its definition are being built and verified.
01Pick a machinecores, memory and a rate per hour
02Set it up oncekept on the volume between runs
03Run it, then stopstopped when the work is done
The application
One script,and a very large box
Materials, not just molecules — and rather more of them.
Almost any potential
Lennard-Jones, EAM, ReaxFF, and the learned ones after them.
The input is a script
The whole run reads top to bottom as one plain input script.
Built to spread out
It was written for many cores, and it still behaves on them.
The status
Being built,and verified
When the image and its definition are done, it deploys by name like the rest.
Run LAMMPS on your own machinePick a machine that meets it, and it opens about a minute after you ask.