API¶

Particles¶

The particle configuration can be stored in a Snapshot, including the simulation Box and timestep, per-particle properties like position and velocity, and topology information (see next).

`lammpsio.Box`	Simulation box.
`lammpsio.Snapshot`	Particle configuration.
`lammpsio.LabelMap`	Map between integer type IDs and string type names.

Topology¶

The topology (bond information) can be stored in Bonds, Angles, Dihedrals, and Impropers objects. All these objects function similarly, differing only in the number of particles that are included in a connection (2 for a bond, 3 for an angle, 4 for a dihedral or improper).

`lammpsio.Angles`	Angle connections between particles.
`lammpsio.Bonds`	Bond connections between particles.
`lammpsio.Dihedrals`	Dihedral connections between particles.
`lammpsio.Impropers`	Improper dihedral connections between particles.

File formats¶

Particle data can be read and written using the following LAMMPS file formats:

`lammpsio.DataFile`	LAMMPS data file.
`lammpsio.DumpFile`	LAMMPS dump file.