Skip to content

Commit

Permalink
added badges in README.md
Browse files Browse the repository at this point in the history
  • Loading branch information
wxj6000 authored Apr 19, 2024
1 parent 7103da7 commit 31b19fa
Showing 1 changed file with 6 additions and 2 deletions.
8 changes: 6 additions & 2 deletions README.md
Original file line number Diff line number Diff line change
@@ -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
--------

Expand Down Expand Up @@ -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;

Expand Down

0 comments on commit 31b19fa

Please sign in to comment.