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 5 months ago
2
Get started
429 commitsLast commit ≈ 8 months ago7 stars2 forks
Ctrl K
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 availableProgramming languages
License
</>Source code
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 15 months ago
Finished