pyZacros

A Python library to handle Kinetic Monte Carlo codes.

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363 commits | Last update: May 16, 2022

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What pyZacros can do for you

  • 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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Programming Language
  • Python
License
  • LGPL-3.0
  • BSD-3-Clause
Source code

Contributors

  • Pablo Lopez-Tarifa
    Netherlands eScience Center
  • Nestor Aguirre
    Software for Chemicals & Materials
Contact person
Pablo Lopez-Tarifa
Netherlands eScience Center
Mail Pablo

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