diff --git a/README.md b/README.md index 5916c350..4325c85d 100644 --- a/README.md +++ b/README.md @@ -1,5 +1,9 @@ GPU plugin for PySCF ==================== +[![arXiv](https://img.shields.io/badge/arXiv-2404.09452-b31b1b.svg)](https://arxiv.org/abs/2404.09452) +![nightly](https://github.com/pyscf/gpu4pyscf/actions/workflows/nightly_build.yml/badge.svg) +[![PyPI version](https://badge.fury.io/py/gpu4pyscf-cuda11x.svg)](https://badge.fury.io/py/gpu4pyscf-cuda11x) + Installation -------- @@ -56,8 +60,8 @@ Limitations -------- - Rys roots up to 9 for density fitting scheme and direct scf scheme; - Atomic basis up to g orbitals; -- Auxiliary basis up to h orbitals; -- Density fitting scheme up to ~168 atoms with def2-tzvpd basis, bounded CPU memory; +- Auxiliary basis up to i orbitals; +- Density fitting scheme up to ~168 atoms with def2-tzvpd basis, bounded by CPU memory; - Hessian is unavailable for Direct SCF yet; - meta-GGA without density laplacian;