> For the complete documentation index, see [llms.txt](https://tu-clausthal.gitbook.io/good-research-practice-in-md-simulations-tuc-swz/llms.txt). Markdown versions of documentation pages are available by appending `.md` to page URLs; this page is available as [Markdown](https://tu-clausthal.gitbook.io/good-research-practice-in-md-simulations-tuc-swz/infrastructures/software-features/ovito.md).

# OVITO

[OVITO](https://www.ovito.org/) (Open Visualization Tool) is a scientific visualization and analysis software for atomistic simulation data. It is the primary tool used in the SWZ for inspecting and analyzing MD simulation results.

## Key Features

* **Load simulation data**: supports LAMMPS dump files, XYZ, CFG, POSCAR, NetCDF, and many more formats
* **Built-in analysis modifiers**: Common Neighbor Analysis (CNA), Dislocation Extraction Algorithm (DXA), Voronoi analysis, coordination analysis, Wigner-Seitz defect analysis, surface mesh construction
* **Rendering**: high-quality ray-traced images and animations for publications
* **Python scripting**: automate analysis pipelines using the OVITO Python module (`ovito` package)

## Common Workflows

### Visualizing a LAMMPS Trajectory

1. Open OVITO and load your LAMMPS dump file (`File > Load File`)
2. Navigate through timesteps using the timeline slider
3. Apply modifiers from the pipeline editor (e.g., "Color Coding" to map per-atom properties)

### Structural Analysis

* **CNA (Common Neighbor Analysis)**: identify crystal structures (FCC, BCC, HCP) in your system
* **DXA (Dislocation Extraction Algorithm)**: extract dislocation lines and compute Burgers vectors
* **Voronoi Analysis**: compute atomic volumes and coordination numbers

### Python Scripting

OVITO provides a Python module for batch processing:

```python
from ovito.io import import_file
from ovito.modifiers import CommonNeighborAnalysisModifier

pipeline = import_file("trajectory.dump")
pipeline.modifiers.append(CommonNeighborAnalysisModifier())
data = pipeline.compute()
```

## Installation

* **OVITO Basic**: free for academic and commercial use, available from [ovito.org](https://www.ovito.org/)
* **OVITO Pro**: additional features (Python scripting IDE, advanced modifiers), requires a license
* **Python module**: install via `pip install ovito`

## Resources

* [OVITO documentation](https://www.ovito.org/docs/current/)
* [OVITO Python reference](https://www.ovito.org/docs/current/python/)
* [OVITO forum](https://www.ovito.org/forum/)