From 3eb166e89aeb41bbe8d080d12b989f8e67dda882 Mon Sep 17 00:00:00 2001 From: JJ <103335846+computerscienceiscool@users.noreply.github.com> Date: Wed, 7 Feb 2024 00:03:32 -0800 Subject: [PATCH] Update README.md FIxed a small spelling error --- README.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index a0c5daa4b8..b66200e342 100644 --- a/README.md +++ b/README.md @@ -7,7 +7,7 @@ [![DOI](https://zenodo.org/badge/96281078.svg)](https://zenodo.org/badge/latestdoi/96281078) [![built with nix](https://builtwithnix.org/badge.svg)](https://builtwithnix.org) -`pysisyphus` is a software-suite for the exploration of potential energy surfaces in ground- +`pysisyphus` is a software-suite for the exploration of potential energy surfaces in ground- and **excited states**. It implements several methods to search for stationary points (minima and first order saddle points) and the calculation of minimum energy paths by means of IRC and Chain of States methods like Nudged Elastic Band and Growing String. @@ -17,7 +17,7 @@ Furthermore it provides tools to easily analyze & modify geometries (aligning, t Required energies, gradients and hessians are calculated by calling external quantum chemistry codes. Alternatively `pysisyphus` can also be used as a library to implement custom quantum chemistry workflows. -If any issues arise please open an issue and I'll try to fix it if possible and my time permits it. Contrubtions are welcome, so feel free to submit a PR. +If any issues arise please open an issue and I'll try to fix it if possible and my time permits it. Contributions are welcome, so feel free to submit a PR. **This software is still work in progress. Use at your own risk.**