An OVITO modifier for computing the common neighborhood parameter (CNP)
The CNP is a scalar measure used for the structural characterization of atomistic simulations. See the following publication for details:
Helio Tsuzuki, Paulo S. Branicio, José P. Rino,
Structural characterization of deformed crystals by analysis of common atomic neighborhood,
Computer Physics Communications (2007), Volume 177, Issue 6, Pages 518-523,
https://doi.org/10.1016/j.cpc.2007.05.018
| GUI name | Python name | Description | Default Value |
|---|---|---|---|
| Cutoff radius | cutoff |
Nearest neighbor cutoff distance in simulation units of length | 3.2 |
-
OVITO Pro integrated Python interpreter:
ovitos -m pip install --user git+https://github.com/ovito-org/CommonNeighborhoodParameter.gitThe
--useroption is recommended and installs the package in the user's site directory. -
Other Python interpreters or Conda environments:
pip install git+https://github.com/ovito-org/CommonNeighborhoodParameter.git
- Tested on OVITO version 3.12.0
OVITO Team [email protected]
Paulo Branicio [email protected]
