rgpot

Author:

Rohit Goswami

Overview

rgpot provides a unified schema for interfacing potential servers across languages using runtime interoperability. It combines a Rust core with C++ potentials exposed through a Cap’n Proto RPC layer, enabling language-agnostic access to potential energy surface calculations.

git clone https://github.com/OmniPotentRPC/rgpot.git
cd rgpot && pixi shell
meson setup bbdir -Dwith_tests=True --buildtype=debug
meson compile -C bbdir && meson test -C bbdir

Tutorials

• Quickstart

How-To Guides

• Embedding as a Subproject
• External Integration Guide

Reference

• Architecture Overview
• API Reference
  • Crate rgpot_core
• Changelog

Development

• Contributing to rgpot
  • Developer Guide
  • Code of Conduct
• Code of Conduct

License

MIT, however note that some of the potentials are adapted from eOn which is under a BSD 3-Clause License.