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CompChem.jl

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This is a software package for performing computational chemistry calculations. Currently we can do restricted and unrestricted Hartree-Fock using STO-NG, 6-31G, 6-31G(d,p) and cc-pVDZ basis sets. I have a lot of features that I'm working on adding, so stay tuned for future versions.

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Software package for computational chemistry calculations

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