Resources
This section collects external resources that are directly used in the development of ReaxKit or recommended for understanding the theoretical, algorithmic, or physical background of specific components.
Resources may include: - Peer-reviewed papers - Review articles - Books or book chapters - Technical reports - Specifications and standards - Online documentation and tutorials
and are determined by Type ∈ {Paper, Review, Book, Spec, Manual, Tutorial, Dataset} in the tables below.
Resources Used in Development
These resources directly informed the design, algorithms, numerical models, or validation of specific ReaxKit components.
| Type | File | Specific Function | Purpose | Resource |
|---|---|---|---|---|
| Paper | equation_of_states.py |
vinet_energy_ev and vinet_energy_trainset |
Rose–Vinet equation of state | Vinet, P., J. Ferrante, J. H. Rose, and J. R. Smith (1987), Compressibility of solids, J. Geophys. Res., 92(B9), 9319–9325, doi:10.1029/JB092iB09p09319. |
Background, Theory & Reference Material
These resources are not required to use ReaxKit, but provide theoretical, physical, or methodological context.
| Type | File | Specific Function | Purpose | Resource |
|---|---|---|---|---|
📌 Note
Whenever possible, references are cited directly in the documentation and docstrings of the corresponding analyzer, workflow, or handler.
This page serves as a central index, not a replacement for inline citations.