Changelog

All notable changes to FlashCart are documented in this file. The format follows Keep a Changelog, and FlashCart uses semantic versioning.

Unreleased

0.1.0 - 2026-10-06

First public release.

Added

  • Generated Triton kernels for Cartesian tensor products, direction-tensor expansions, and equivariant linear layers, supporting forward evaluation, backward differentiation, and double backward, with a pure PyTorch fallback.

  • The FlashCart interatomic potential and a Lightning Fabric trainer with multi-GPU support (flashcart-train, flashcart-test).

  • ASE calculator and LAMMPS ML-IAP interface (flashcart-lammps).

  • Documentation with tutorials and example scripts for dataset preparation, training configuration, and molecular dynamics.