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13 lines
680 B
Plaintext
13 lines
680 B
Plaintext
Octopus is a scientific program aimed at the ab initio virtual experimentation
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on a hopefully ever-increasing range of system types. Electrons are described
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quantum-mechanically within density-functional theory (DFT), in its
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time-dependent form (TDDFT) when doing simulations in time. Nuclei are described
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classically as point particles. Electron-nucleus interaction is described within
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the pseudopotential approximation.
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For optimal execution performance Octopus is parallelized using MPI and OpenMP
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and can scale to tens of thousands of processors. It also has support for
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graphical processing units (GPUs) through OpenCL and CUDA.
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WWW: http://octopus-code.org/wiki/Main_Page
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