/tools/libra-code
libra-code
Quantum-Dynamics-Hub/libra-code
summary
Libra is a computational chemistry library designed for methodology discovery in quantum nonadiabatic dynamics. It provides tools for simulating molecular interactions and dynamics, particularly in the context of quantum chemistry.
topics
nonadiabaticquantumquantum-chemistrydynamicsmolecular-dynamicsdo-it-yourselflibrarymethodology-developmentelectronic-structuresemiempirical-methodsatomic-orbitalsobject-orientedutilities
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