API Reference

Core API

Complete reference for the AtomicSystem class — coordinates, topology, force field parameters and editing methods.

To the core API

AtomicSystem

Build

Build C-S-H models, aqueous solutions, surfaces and solid-liquid interfaces automatically.

To the build module

Build Module

Analysis

Compute RDF, MSD, diffusion coefficients, density profiles and electrostatic potentials.

To the analysis module

Analysis Module