pyZacros

doi:10.5281/zenodo.4354010

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pyZacros

A Python library to handle Kinetic Monte Carlo codes.

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429 commitsLast commit ≈ 13 months ago7 stars2 forks

Cite this software

DOI:

10.5281/zenodo.4354010

Description

Provides a Python environment to run your favorite KMC code.
Seamlessly connected to ab-initio codes.
Support functions to handle outputs and plot results.

pyZacros is an Open Source project supported by the Netherlands eScience Center (NLeSC) and Software for Chemistry & Materials BV (SCM, and previously known as Scientific Computing & Modelling NV). The terms of the [LGPL-3.0 license]* apply. As an exception to the LGPL-3.0 license, you agree to grant SCM a [BSD 3-Clause license]** to the contributions you commit on this Github or provide to SCM in another manner.

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