berquist / rchem
Ab initio quantum chemistry in Rust from scratch
☆12Updated this week
Alternatives and similar repositories for rchem:
Users that are interested in rchem are comparing it to the libraries listed below
- Package to handle integrals over Gaussian-type atomic orbitals.☆29Updated last month
- Set of quantum chemistry programs and libraries☆44Updated 4 years ago
- adcc: Seamlessly connect your program to ADC☆35Updated last week
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆42Updated last month
- MolSSI Integral Reference Project☆25Updated 4 years ago
- A research-grade quantum chemistry program written in Julia☆66Updated 4 years ago
- Coupled-cluster package written in Python.☆38Updated last month
- Numerical integration grid for molecules.