Welcome to Atomaton’s documentation!#
Indices and tables#
Contents#
- Usage
- Classes
- Models:
atomaton.models
Angle
Atoms
Atoms.bind_from_ase()
Atoms.bind_from_file()
Atoms.calculate_angles()
Atoms.calculate_bonds()
Atoms.calculate_bounding_box()
Atoms.calculate_dihedrals_and_impropers()
Atoms.center_in_cell()
Atoms.center_on_position()
Atoms.create_extended_cell_minimal()
Atoms.delete_atoms()
Atoms.get_bonds_metadata()
Atoms.get_center_of_positions()
Atoms.insert_atoms()
Atoms.overlap_at_point()
Atoms.shift_atoms()
Atoms.view()
Bond
Crystal
Improper
SimulationBox
UnitCell
- Models:
- LAMMPS
- Visualize
Check out the Usage section for further information, including how to install the project.
Learn about key classes!
View structures and generate movies!
Integrate with LAMMPS!