Basis Set Format Converter

Related tags

Data AnalysisBasis_Set_Format_Converter
Overview

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.

Owner
Manas Sharma
Physicist
Manas Sharma
GitHub Repository
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