rgpot-core

Core Rust library for rgpot: RPC-based distributed potential energy surface calculations.

Overview

rgpot-core follows the metatensor architecture pattern: a Rust core that defines fundamental types, exposed via a stable C ABI (auto-generated by cbindgen), with hand-written C++ RAII wrappers on top.

Data exchange uses the DLPack tensor protocol for device-agnostic interoperability (CPU, CUDA, ROCm).

Features

Feature	Description
(default)	Core types, DLPack tensor helpers, callback-based potential dispatch
`rpc`	Cap'n Proto RPC client and server for distributed calculations
`cache`	(planned) Result caching layer

Quick Start

[dependencies]
rgpot-core = "0.1"

Enable the RPC feature:

[dependencies]
rgpot-core = { version = "0.1", features = ["rpc"] }

Documentation

Full documentation is available at rgpot.rgoswami.me.

License