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Orbital rendering of hydrogen atom's electron with PyOpenCL

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Orbitals

This project aims to simulate the orbital structure of a hydrogen atom. It evaluates the quantum wavefunction at a large number of points, composing an image of the spatial probability of the single electron's location. OpenCL is used to parallelize the process, resulting in significant speedups.

This software was designed and developed as my final project for RPI's CSCI-4320, Parallel Programming.

All code is being released under the two-clause BSD license, which can be found in the toplevel LICENSE file.

Dependencies

  • Python
  • PyOpenCL
  • PIL
  • numpy

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Orbital rendering of hydrogen atom's electron with PyOpenCL

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