Apply reduction operations to OVITO properties
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Updated
Aug 26, 2024 - Python
Apply reduction operations to OVITO properties
Merge Aspherix bodies into OVITO particles
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
Produces neutralized nanoparticles (made up of Fe2O3 unit cells from the standard Fe2O3 .cif file) in .lmp format. Uses the Ovito python library to accomplish this.
Code, graphs, and input files utilized within graphene energy minimization research being conducted in an internship under NJIT's Prof. Dibakar Datta
lindemann is a python package to calculate the Lindemann index of a lammps trajectory
This is a wrapper for OVITO around the "Score-based denoising for atomic structure identification" presented in this graphite repo. Further information and the official citation on arXiv.
OVITO Python modifier to compute the Warren-Cowley parameters.
Align molecules using Kabsch algorithm
A series of recipes and tutorials on how to use python scripting with OVITO
OVITO Python file reader for the h5 data containers written by pyiron.
OVITO Python modifier to find shortest rings formed by bonds in a system
OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.
Template for a custom Python modifier which hooks into OVITO
Template for a custom Python file reader which hooks into OVITO
Template repository for a Python-based pipeline source for OVITO
Template repository for a Python-based viewport overlay for OVITO
OVITO Python modifier to chang the particle type values to create a random solid solution of a given composition.
OVITO Python file reader for the DDEC analysis output written by chargemol.
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