narupatools.lammpsΒΆ

Interpolability with the LAMMPS package.

Modules

narupatools.lammps.atom_properties

Hard-coded atom properties defined by LAMMPS.

narupatools.lammps.computes

Defining and extracting computes from LAMMPS.

narupatools.lammps.exceptions

Custom exceptions that wrap LAMMPS output.

narupatools.lammps.globals

Hard-coded globals defined by LAMMPS.

narupatools.lammps.regions

Regions in LAMMPS simulations.

narupatools.lammps.settings

Hard-coded global settings defined by LAMMPS.

narupatools.lammps.thermo

Thermo keywords defined by LAMMPS.