narupatools¶

Narupatools is a package containing utilities to make working with Narupa easier.

Functions

Entry point for IPython.

narupatools.load_ipython_extension(ipython: Any) → None ¶

Entry point for IPython.

This is called when the narupatools extension is imported using:

%load_ext narupatools

Modules

`app`	Application-level code for clients and servers.
`ase`	Runners and utilities for interfacing between ASE and Narupa.
`core`	Core code that is useful across narupatools.
`flake8`	Narupatools flake8 plugin.
`frame`	Code for handling FrameData and other related objects.
`imd`	Module for code relating to interactive molecular dynamics.
`lammps`	Interpolability with the LAMMPS package.
`mdanalysis`	Code for interface with the MDAnalysis package.
`mdtraj`	Utilities for interfacing with the MDTraj package.
`nglview`	Code for interfacing with NGLView.
`openmm`	Classes and methods for interfacing with the OpenMM package.
`override`	Provides simple decorator for marking methods as overrides.
`physics`	Methods relating to calculating physical quantities.
`state`	Classes and methods for dealing with Narupa shared state in a more intuitive way.
`util`	Utility methods.

narupatools