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.