Quantum chemistry program/library I am writing for fun and to experiment with Python/C++/HPC/SWE.

General idea:

• Compute heavy pieces in C++/CUDA/etc
• Python interface via pybind11 (no traditional input file but rather a Python REPL or script)
• Extensible via via Python/C++, interfaces for integrals, arrays, etc
• Compatible with numpy arrays, python buffer protocol
• Support for duck-typed distributed arrays (GA implemented)
• Eistein summation/tensor contraction DSL
• Generation of many-body code on the fly given equations and machine constraints (kinda abstract JIT)