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pyscal3

Community

faster and more efficient pyscal distribution

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::pyscal3

Usage Tracking

3.3.0
3.2.7
3.2.6
3.2.5
3.2.3
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Downloads (Last 6 months): 0

Description

pyscal is a python module for the calculation of local atomic structural environments including Steinhardt's bond orientational order parameters [1] during post-processing of atomistic simulation data. The core functionality of pyscal is written in C++ with python wrappers using pybind11 which allows for fast calculations with possibilities for easy expansion in python.

About

Summary

faster and more efficient pyscal distribution

Last Updated

May 19, 2025 at 11:30

License

GPL-3.0

Total Downloads

493.0K

Supported Platforms

macOS-64
macOS-arm64
win-64
linux-64