ReaxPro wrappers
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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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pyZacros
A Python library to handle Kinetic Monte Carlo codes.
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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.
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License
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Participating organisations
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 16 months ago
Finished