pyZacros

A Python library to handle Kinetic Monte Carlo codes.

2
contributors

Cite this software

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.

Keywords
No keywords avaliable
Programming languages
  • Python 99%
  • Shell 1%
License
  • BSD-3-Clause
  • LGPL-3.0
</>Source code

Participating organisations

Software for Chemicals & Materials
Netherlands eScience Center

Contributors

Contact person

NA

Nestor Aguirre

Software for Chemicals & Materials
NA
Nestor Aguirre
Software for Chemicals & Materials
PL
Pablo Lopez-Tarifa
Netherlands eScience Center

Related projects

ReaxPro H2020

Software platform for multiscale modelling of reactive materials and processes

Updated 7 months ago
Finished

Related software

ReaxPro wrappers

RE

This repository is a collection of wrappers used in the ReaxPro project. It holds wrappers for the Amsterdam Modeling Suite (AMS) and Zacros.

Updated 7 months ago
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