narupatools.lammps.converter¶
Converter functions for interfacing with LAMMPS.
Functions
Create an ASE Atoms object based on a LAMMPS simulation. |
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narupatools.lammps.converter.atoms_from_lammps_simulation(simulation: narupatools.lammps.simulation.LAMMPSSimulation) → ase.atoms.Atoms¶ Create an ASE Atoms object based on a LAMMPS simulation.
- Parameters
simulation – LAMMPS simulation to use.
- Returns
ASE atoms object with a calculator that references the given simulation.
Classes
FrameConverter for the mdtraj package. |