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.
List of modifiers available in OVITO:
Analysis |
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Calculates local strain tensors based on the relative motion of neighboring particles. |
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Computes bond angle and bond length distributions. |
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Decomposes a particle system into clusters of particles. |
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Determines the number of neighbors of each particle and computes the radial distribution function for the system. |
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Identifies dislocation defects in a crystal. |
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Calculates the displacements of particles based on an initial and a deformed configuration. |
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Calculates the atomic-level elastic strain tensors in crystalline systems. |
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Determines the grain structure in a polycrystalline microstructure. |
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Computes the histogram of a property. |
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Generates a scatter plot of two properties. |
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Aggregates a particle property over a one-, two- or three-dimensional bin grid. |
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Calculates the spatial cross-correlation function between two particle properties. |
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Computes the average of some time-dependent input quantity over the entire trajectory. |
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Plots the value of a global attribute as function of simulation time. |
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Computes the coordination number, atomic volume, and Voronoi index of particles from their Voronoi polyhedra. |
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Identifies point defects (vacancies and interstitials) in a crystal lattice. |
Coloring |
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Performs an ambient occlusion calculation to shade particles. |
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Assigns a color to all selected elements. |
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Colors particles or bonds according to a typed (discrete) property. |
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Colors particles or bonds based on the value of a scalar (continuous) property. |
Modification |
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Applies an affine transformation to the system. |
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Merges the particles and bonds from two separate input files into one dataset. |
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Assigns property values to particles or bonds according to a user-defined formula. |
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Removes the selected elements from the visualization. |
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Freezes the values of a dynamic particle property at a given animation time to make them available at other times. |
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Loads time-dependent atomic positions from a separate trajectory file. |
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Lets you write your own modifier function in Python. |
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Duplicates particles and other data elements to visualize periodic images of the system. |
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Cuts the structure along an infinite plane. |
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Computes time-averaged particle positions using a sliding window or generates intermediate sub-frames using linear interpolation. |
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Computes unwrapped particle coordinates in order to generate continuous trajectories at periodic cell boundaries. |
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Folds particles located outside of the periodic simulation box back into the box. |
Selection |
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Resets the selection state of all elements. |
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Selects particles that are neighbors of already selected particles. |
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Selects particles and other elements based on a user-defined criterion. |
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Lets you select individual particles or bonds with the mouse. |
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Inverts the selection state of each element. |
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Selects all elements of a particular type, e.g. all atoms of a chemical species. |
Structure identification |
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Identifies common crystal structures by an analysis of the bond-angle distribution. |
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Calculates the centrosymmetry parameter for every particle. |
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Identifies hexagonal ice, cubic ice, hydrate and other arrangements of water molecules. |
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Performs the common neighbor analysis (CNA) to determine local crystal structures. |
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Identifies atoms that are arranged in a cubic or hexagonal diamond lattice. |
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Identifies common crystal structures using the PTM method and computes local crystal orientations. |
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Identifies local structure of particles using the topology of their Voronoi polyhedra. |
Visualization |
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Constructs a triangle mesh representing the surface of a solid. |
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Creates bonds between particles. |
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Generates an isosurface from a scalar field. |
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Shows coordination polyhedra. |
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Generates trajectory lines from the time-dependent particle positions. |
Python-based modifiers |
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Computes local pair entropy fingerprints of particles. |
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Discerns between stacking fault and twin boundary crystal defects. |
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Visualize LAMMPS regions as surface meshes. |
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Resets the simulation cell to tightly fit all particles. |