CEMD Documentation#
Atomistic models of cements, clays, carbonates and oxide glasses, built for LAMMPS.
CEMD covers the whole path from a crystal structure to a simulation input: assembling the solid, cutting surfaces and pores, filling them with a solution, assigning atom types from force-field rules, resolving the parameters, and analyzing the result.
Installation
Step-by-step instructions to set up CEMD and its dependencies on your system.
Getting Started
New to CEMD? Start here for a quick introduction to the main concepts and your first atomic system.
User Guide
In-depth explanations of CEMD concepts — building systems, applying force fields, and running analyses.
API Reference
Detailed description of all classes, methods and functions in CEMD. Assumes familiarity with the key concepts.