Modifiers
Modifiers are the basic building blocks for creating a data pipeline in OVITO. Like tools in a toolbox, each modifier implements a very specific, well-defined type of operation or computation, and typically you will need to combine several modifiers to accomplish more complex tasks.
| Modifier name | Description |
|---|---|
| Analysis | |
| Atomic strain | Calculates local strain tensors based on the relative motion of neighboring particles. |
| Bond analysis pro | Computes bond angle and bond length distributions. |
| Cluster analysis | Decomposes a particle system into clusters of particles. |
| Coordination analysis | Determines the number of neighbors of each particle and computes the radial distribution function for the system. |
| Dislocation analysis (DXA) | Identifies dislocation defects in a crystal. |
| Displacement vectors | Calculates the displacements of particles based on an initial and a deformed configuration. |
| Elastic strain calculation | Calculates the atomic-level elastic strain tensors in crystalline systems. |
| Grain segmentation | Determines the grain structure in a polycrystalline microstructure. |
| Histogram | Computes the histogram of a property. |
| Scatter plot | Generates a scatter plot of two properties. |
| Spatial binning pro | Aggregates a particle property over a one-, two- or three-dimensional bin grid. |
| Spatial correlation function | Calculates the spatial cross-correlation function between two particle properties. |
| Time averaging pro | Computes the average of some time-dependent input quantity over the entire trajectory. |
| Time series pro | Plots the value of a global attribute as function of simulation time. |
| Voronoi analysis | Computes the coordination number, atomic volume, and Voronoi index of particles from their Voronoi polyhedra. |
| Wigner-Seitz defect analysis | Identifies point defects (vacancies and interstitials) in a crystal lattice. |
| Coloring | |
| Ambient occlusion | Performs an ambient occlusion calculation to shade particles. |
| Assign color | Assigns a color to all selected elements. |
| Color coding | Colors particles or bonds based on the value of a property. |
| Modification | |
| Affine transformation | Applies an affine transformation to the system. |
| Combine datasets | Merges the particles and bonds from two separate input files into one dataset. |
| Compute property | Assigns property values to particles or bonds according to a user-defined formula. |
| Delete selected | Deletes all selected elements. |
| Freeze property | Freezes the values of a dynamic particle property at a given animation time to make them available at other times. |
| Load trajectory | Loads time-dependent atomic positions from a separate trajectory file. |
| Python script pro | Lets you write your own modifier function in Python. |
| Replicate | Duplicates particles and other data elements to visualize periodic images of the system. |
| Slice | Cuts the structure along an infinite plane. |
| Smooth trajectory | Computes time-averaged particle positions using a sliding window or generates intermediate sub-frames using linear interpolation. |
| Unwrap trajectories | Computes unwrapped particle coordinates in order to generate continuous trajectories at periodic cell boundaries. |
| Wrap at periodic boundaries | Folds particles located outside of the periodic simulation box back into the box. |
| Selection | |
| Clear selection | Resets the selection state of all elements. |
| Expand selection | Selects particles that are neighbors of already selected particles. |
| Expression selection | Selects particles and other elements based on a user-defined criterion. |
| Manual selection | Lets you select individual particles or bonds with the mouse. |
| Invert selection | Inverts the selection state of each element. |
| Select type | Selects all elements of a particular type, e.g. all atoms of a chemical species. |
| Structure identification | |
| Ackland-Jones analysis | Identifies common crystal structures by an analysis of the bond-angle distribution. |
| Centrosymmetry parameter | Calculates the centrosymmetry parameter for every particle. |
| Chill+ | Identifies hexagonal ice, cubic ice, hydrate and other arrangements of water molecules. |
| Common neighbor analysis | Performs the common neighbor analysis (CNA) to determine local crystal structures. |
| Identify diamond structure | Identifies atoms that are arranged in a cubic or hexagonal diamond lattice. |
| Polyhedral template matching | Identifies common crystal structures using the PTM method and computes local crystal orientations. |
| VoroTop analysis | Identifies local structure of particles using the topology of their Voronoi polyhedra. |
| Visualization | |
| Construct surface mesh | Constructs a triangle mesh representing the surface of a solid. |
| Create bonds | Creates bonds between particles. |
| Create isosurface | Generates an isosurface from a scalar field. |
| Coordination polyhedra | Shows coordination polyhedra. |
| Generate trajectory lines | Generates trajectory lines from the time-dependent particle positions. |
| Interactive molecular dynamics | Visualize live atomic trajectories from a running MD simulation as they are being calculated. |