A real-space (time-dependent) density-functional theory code.
Octopus is a scientific program aimed at ab initio virtual experimentation on a hopefully ever-increasing range of system types. Electrons are described quantum-mechanically within density-functional theory (DFT), in its time-dependent form (TDDFT) when doing simulations in time. Nuclei are described classically as point particles. Electron-nucleus interaction is described within the pseudopotential approximation.
Octopus is a scientific program aimed at ab initio virtual experimentation on a hopefully ever-increasing range of system types. Electrons are described quantum-mechanically within density-functional theory (DFT), in its time-dependent form (TDDFT) when doing simulations in time. Nuclei are described classically as point particles. Electron-nucleus interaction is described within the pseudopotential approximation.
To install octopus, run the following command in macOS terminal (Applications->Utilities->Terminal)
sudo port install octopus
To see what files were installed by octopus, run:
port contents octopus
To later upgrade octopus, run:
sudo port selfupdate && sudo port upgrade octopus
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