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教程LAMMPS·1 个月前·浏览 14

LAMMPS Lennard-Jones input walkthrough

A compact AtomSpace seed tutorial for building and running a Lennard-Jones LAMMPS input file.

LAMMPS Lennard-Jones input walkthrough

This seed tutorial demonstrates the platform content model. It includes parameters, run commands, and common checks for a minimal Lennard-Jones simulation.

units lj
atom_style atomic
lattice fcc 0.8442
region box block 0 8 0 8 0 8
create_box 1 box
create_atoms 1 box
pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0 2.5
run 1000

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