OVITO User Manual

Alexander Stukowski

TU Darmstadt - Institute of Materials Science


Petersenstr. 32
64287
Darmstadt
Germany

Permission is granted to copy, distribute and/or modify this document under the terms of the GNU Free Documentation License, Version 1.2 or any later version published by the Free Software Foundation. A copy of the license is included in the appendix section entitled "GNU Free Documentation License".

Table of Contents

1. Introduction
2. Installation
2.1. Building OVITO
2.1.1. Tested platforms
2.1.2. System requirements
2.1.3. Getting the newest source code
2.1.4. Build instructions
2.2. Running OVITO
2.3. Configuring OpenGL
3. Tutorial - First steps
3.1. Step I: Importing atoms
3.2. Step II: Using the viewports
3.3. Step III: Working with modifiers
3.3.1. Step IIIa: Applying the Slice modifier
3.3.2. Step IIIb: Assigning colors to atoms
3.3.3. Step IIIc: Selecting atoms
3.4. Step IV: Rendering
3.5. Step V: Performing an analysis
3.6. Step VI: Saving your work
4. Usage
4.1. OVITO basics
4.1.1. Data model
4.1.2. Processing model
4.2. Importing atomistic data
4.3. Working with modifiers
4.4. Rendering
4.5. Exporting atomistic data
5. Reference
5.1. Main window
5.1.1. Main menu
5.1.2. Main toolbar
5.1.3. Viewports
5.1.4. Animation toolbar
5.2. Rendering
5.2.1. Render settings
5.2.2. Preview renderer
5.2.3. POV-Ray renderer
5.3. Atoms object
5.3.1. Simulation cell
5.4. Import atoms object
5.5. Modifiers
5.5.1. Ackland Analysis
5.5.2. Add Expression Channel
5.5.3. Assign Atom Type Color
5.5.4. Assign Color
5.5.5. Affine Transformation
5.5.6. Calculate Displacements
5.5.7. Color Coding
5.5.8. Common Neighbor Analysis
5.5.9. Delete Selected Atoms
5.5.10. Invert Selection
5.5.11. Freeze Selection
5.5.12. Select Atom Type
5.5.13. Select By Expression
5.5.14. Show Periodic Images
5.5.15. Slice
5.5.16. Wrap Periodic Images
5.6. Standard data channels
5.6.1. Atom Type
5.6.2. Position
5.6.3. Displacement
5.6.4. CNA Atom Type
5.6.5. Color
5.7. Import formats
5.7.1. LAMMPS dump files
5.7.2. LAMMPS data files
5.7.3. XYZ files
5.7.4. POSCAR files
5.7.5. IMD files
5.8. Export formats
5.8.1. LAMMPS dump files
5.8.2. LAMMPS data files
5.8.3. XYZ files
5.8.4. POSCAR files
5.8.5. POV-Ray files
6. Credits and License
A. GNU General Public License version 3
B. GNU Free Documentation License

List of Figures

3.1. The Import File Dialog
3.2. The import settings dialog
3.3. The main window after loading the sample data
3.4. The main window with a single viewport
3.5. Using the Slice modifier
3.6. Color coding
3.7. Using select by expression
3.8. Common neighbor analysis
4.1. The Modify tab
5.1. The Render settings panel
5.2. The Preview renderer settings panel
5.3. The POV-Ray Renderer settings panel
5.4. The parameter panel of the Atoms object
5.5. The parameter panel of the simulation cell
5.6. The parameter panel of the Import Atoms object
5.7. The parameter panel of the Add Expression Channel modifier
5.8. The parameter panel of the Affine Transformation modifier
5.9. The parameter panel of the Color Coding modifier
5.10. The parameter panel of the Common Neighbor Analysis modifier
5.11. The parameter panel of the Slice modifier

List of Tables

2.1. CMake project configuration options
2.2. OVITO command line options
5.1. Modifiers