Tested on Python 3.10.0 and LAMMPS 22Jul2025.
List of packages:
Package Version
---------------------- ---------
lammps 2025.7.22
numpy 1.26.4
ovito 3.11.1
packaging 26.3
pip 26.2.1
PySide6 6.7.3
setuptools 84.0.0
shiboken6 6.7.3
traits 7.1.0
WarrenCowleyParameters 3.0.1
wheel 0.48.0
Ovito is installed after creating a mamba venv with the desired Python version:
mamba env create -n kmc python=3.10.0
activating it:
mamba activate kmc
and running:
mamba install --strict-channel-priority -c https://conda.ovito.org -c conda-forge ovito=3.11.1
Other packages you may want to install:
matplotlib
mpi4py
ase
scipy
cython
I suggest using pip to install additional packages.
TODO
- Include a
fixto compute the MSD of PVD atoms (not sure if it's correct or useful)