Leticia-maria/QuantumFoca.jl

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THIS REPO WAS TRANSFERRED TO: Ohata.jl QuantumFoca.jl Overview Installation To install the package, you will call the Julia Package Manager on your REPL: ]add QuantumFoca Done! Now it is ready to use Package Features Calculates overlap integrals Calculate kinetic integrals Calculate electron-nuclear attraction integrals Calculate electron-electron repulsion integrals Quick Example Consider that you want to calculate the electronic energy of a methane molecule. First, you will need the cartesian coordinates...