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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vishnu2709/CompChem.jl
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Software package for computational chemistry calculations
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