Collection of python script modifiers for OVITO Pro. Each script is designed to be used on a data collection from the graphical user interface using the python script modifier
. The OVITO version used for testing can be found in each individual script.
To make these modifiers available from the 'Add modification...' dropdown menu the *.py
files can be copied to ovito-pro-root-dir/share/ovito/scripts/modifiers/
- Adds a single particle of type
symbol
(integer or string) at positionx
,y
,z
to the data collection.
- Adds multiple particles defined by the particle type array
symbol
and the position arraysx
,y
,z
to the data collection.
- Reads the species names, e.g. Cu, from the
types
property and applies the corresponding default settings stored in OVITO.
- Create neighbor lists for each atom and store them in a particle property
num_neighors
should contain a list of neighbors per shell, e.g.,[12, 8]
to find the first 12 neighbors for the first shell and the subsequent 8 for the second neighbor shell.only_selected
calculate the neighbor lists only for selected elements, note that neighboring atoms are still found, even if they are not selected.use_particle_identifier
toggles the usage of particle identifiers or particle indicies in the neighbor list
- Replaces the current
Particle Identifer
array with a new continuous one, starting atinit_val
. This can be necessary after particles were inserted or deleted.
- Replaces the current atomic configurations with a new random arrangement. The concentrations per species are given in the
conc
array (sum conc == 1
). only_selected
applies the modifier only to selected atoms.
- Randomly displaces all atoms.
mode
can be either "uniform" or "normal". Depending on the mode, random displacements are either drawn from a uniform or normal distribution.amp
gives the displacement magnitude (mode: uniform) or standard deviation (mode: normal)seed
sets the starting value of the random number generator.
- Select a spherical region of a given
radius
around acenter
point. add_to_selection
toggle can be used to add to the current selection or create a new one.
- Select a cylindrical region of a given
radius
from pointp1
to pointp2
. add_to_selection
toggle can be used to add to the current selection or create a new one.
- Read an ASE database into the timeline
- Read a mol2 file into the timeline