ben-albrecht / hf_rosetta

HF Rosetta

Implementations of the Hartree-Fock self consistent field method in several languages.

Notes

1. Common libraries are allowed - If there are libraries that give access to things like linear algebra libraries use them. This is more of an exercise to learn programming languages, and the speed tests are really just there to compare ``easy'' implementations.

Dependencies:

1. Python:
    - Python (3.7.2)
    - numpy (1.15.4)
    - scipy (1.1.0)
2. C++
    - xtensor (0.19.2-1)
    - xtensor-blas (0.13.1-1)
3. Julia
    - julia (1.1.0)