Python tools for quantum chemical calculations
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Updated
Jan 19, 2024 - Python
Python tools for quantum chemical calculations
Interactively search for Gaussian basis sets
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.
Add a description, image, and links to the basis-set topic page so that developers can more easily learn about it.
To associate your repository with the basis-set topic, visit your repo's landing page and select "manage topics."