TACO Format Documentation
TACO (Trajectory and Compressed Object) Format is a modern file format for molecular dynamics trajectory data. It provides superior compression and fast I/O while maintaining high numerical accuracy through configurable precision.
Features
High compression ratios: Typically 5-10x smaller than XYZ files
Fast I/O: Optimized for both reading and writing performance
Numerical precision control: Configurable precision for coordinates, velocities, and forces
Preserves all data: Stores positions, velocities, forces, cell dimensions, and more
Metadata support: Rich metadata for simulation parameters, atoms, elements, etc.
Command-line interface: Convenient CLI tools for file inspection, extraction, and conversion
Python and Rust APIs: Easy to use from Python via ASE or the native Rust API