/tools/PyFock-GUI
PyFock-GUI
manassharma07/PyFock-GUI
summary
PyFock-GUI is an interactive web application that enables users to perform density functional theory (DFT) calculations on molecules. It supports various exchange-correlation functionals and basis sets, allowing for the prediction of molecular properties and visualization of molecular orbitals in real-time.
description
A streamlit web application for running PyFock interactively on the web or your own PC.
topics
density-functional-theorydftguimolecular-orbitalsnumbapyscfquantum-chemistrydensity-cubeelectronic-structure-theorypyfock
Ratings
N/A
0 ratings
Rate this tool: