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This is a web application/ onilne tool that allows you to enter a basis set in the form of text input for a variety of Quantum Chemistry softwares, and convert it to another format.

Home Page: https://basis-set.streamlit.app/

Jupyter Notebook 43.26% Python 56.74%
basis-set conversion gaussian-basis-function gui-application quantum-chemistry streamlit-webapp

basis_set_format_converter's Introduction

Basis Set Format Converter

Open in Streamlit

Repository for the online tool that allows you to enter a basis set in the form of text input for a variety of Quantum Chemistry softwares, and convert it to another format.

Web App is available here

Source code for the streamlit app is here.

The web app is powered by Basis Set Exchange Repository. In particular, this repo contains a specific branch of the Basis Set Exchange repository created by Susi Lehtola, which is available here.

Since, these repos are available under the BSD 3-Clause license, I have included them in this repository as is, however, I remind you about it nonetheless.

The only code written by me in this repo is in these two files: 1, 2.

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