pyZacros
PY
A Python library to handle Kinetic Monte Carlo codes.
Updated 29 months ago
2
67 commitsLast commit ≈ 14 months ago0 stars1 fork
Ctrl K
ReaxPro wrappers
This repository is a collection of wrappers used in the ReaxPro project. It holds wrappers for the Amsterdam Modeling Suite (AMS) and Zacros.
2
contributors
What ReaxPro wrappers can do for you
This is a bundle of middle-layer mapping functions to facilitate chemistry workflows for heterogeneous catalytic simulations. It links the syntactic chemistry engines with the semantic ontology EMMO.
Keywords
Programming language
License
</>Source code
Participating organisations
Contributors
Contact person
MB
Matthias Büschelberger
Research Software Developer
Fraunhofer Institute for Mechanics of Materials IWM
Related projects
ReaxPro H2020
Software platform for multiscale modelling of reactive materials and processes
Updated 16 months ago
Finished