Modifiers are the basic building blocks that can be used in OVITO's modification pipeline. The following table lists the available modifier types.
Modifier name | Description |
---|---|
Analysis | |
Atomic strain | Calculates the atomic-level strain tensors based on an initial reference and a deformed configuration. |
Bin and reduce | Agregates a particle property over a one- or two-dimensional bin grid. |
Bond-angle analysis | Performs the bond-angle analysis of Ackland and Jones to determine the local crystal structure. |
Construct surface mesh | Constructs a polyhedral mesh representing the surface of an atomistic solid. |
Dislocation analysis (DXA) | Detects dislocation lines in a crystal. |
Displacement vectors | Calculates the displacements of particles based on an initial and a deformed configuration. |
Centrosymmetry parameter | Calculates the centrosymmetry parameter for every particle. |
Cluster analysis | Decomposes a particle system into clusters of particles. |
Common neighbor analysis | Performs the common neighbor analysis (CNA) to determine the local crystal structure. |
Coordination analysis | Determines the number of near neighbors of each particle and computes the radial distribution function. |
Elastic strain calculation | Calculates the atomic-level elastic strain tensors in crystalline systems. |
Histogram | Computes the histogram of a particle property. |
Identify diamond structure | Finds atoms that are arranged in a cubic or hexagonal diamond lattice. |
Polyhedral Template Matching | Identifies the local crystal structure using the PTM method. |
Scatter plot | Generates a scatter plot of two particle properties. |
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 particles. |
Color coding | Colors particles or bonds based on a property. |
Modification | |
Affine transformation | Applies an affine transformation to particle coordinates. |
Create bonds | Creates bonds between particles. |
Combine particle sets | Merges the particles from two separate files into one dataset. |
Compute bond lengths | Computes the length of each bond in the system. |
Compute property | Computes a new property for each particle based a user-defined formula. |
Delete selected particles | Deletes all selected particles. |
Freeze property | Takes a snapshot of the current state of a particle property and preserves it over time. |
Load trajectory | Loads time-dependent atomic positions from a separate trajectory file. |
Python script | Allows you to write your own modifier type in Python.. |
Show periodic images | Duplicates particles to display the periodic images of particles. |
Slice | Cuts out a slice or a cross-section from the structure. |
Wrap at periodic boundaries | Maps particles outside of the simulation box back into the box. |
Selection | |
Clear selection | Resets the selection state of all particles. |
Expand selection | Selects particles that are neighbors of already selected particles. |
Manual selection | Allows to select particles with the mouse. |
Invert selection | Inverts the selection state of each particle. |
Expression select | Selects particles based on a user-defined criterion. |
Select particle type | Selects particles of one or more types. |