The Legion Parallel Programming System

Interactive roadmaps, guides and other educational content to help developers grow in their careers.

A repository for quantum chemistry basis sets

Coulomb (J) matrix build from electron repulsion integrals (ERIs) using Regent

A json of the entire periodic table.

general GTO integrals for quantum chemistry

do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals

Libint: high-performance library for computing Gaussian integrals in quantum mechanics

The git repository for the TT-Toolbox

Gradient-free optimization method for the multidimensional arrays and discretized multivariate functions based on the tensor train (TT) format.

A C++ linear algebra algebra focusing on tensor tree classes designed for quantum dynamics simulations and machine learning applications