orbitalfor
Orbitalfor is a Python library designed for the analysis and manipulation of orbital data, particularly in the context of quantum chemistry and computational materials science. It provides tools for visualizing molecular orbitals, computing properties such as electron density, and performing post-processing of quantum mechanical simulations. The library is built on top of established scientific computing frameworks like NumPy and SciPy, ensuring compatibility with broader computational workflows.
Developed with researchers and practitioners in mind, Orbitalfor simplifies complex orbital calculations by offering intuitive functions
Orbitalfor is open-source and released under the MIT License, making it freely available for academic and commercial
The library is particularly useful for researchers looking to streamline post-processing steps in quantum chemistry workflows,