https://github.com/donshen/structure_factor

Calculate average structure factor from pdb files. Implemented CPU-based parallelization using numba and cuda-acceleration by Taichi. Codes belongs to Siepmann Group, University of Minnesota. Author of original code: Paul Qile Chen. Contributors: Don Zhengyuan Shen; Andrew Yangzesheng Sun
https://github.com/donshen/structure_factor

molecular-dynamics-simulation parallel-computing taichi-framework

Last synced: about 2 months ago
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Calculate average structure factor from pdb files. Implemented CPU-based parallelization using numba and cuda-acceleration by Taichi. Codes belongs to Siepmann Group, University of Minnesota. Author of original code: Paul Qile Chen. Contributors: Don Zhengyuan Shen; Andrew Yangzesheng Sun

• Host: GitHub
• URL: https://github.com/donshen/structure_factor
• Owner: donshen
• Created: 2021-11-04T19:42:49.000Z (almost 3 years ago)
• Default Branch: master
• Last Pushed: 2021-11-04T22:57:51.000Z (almost 3 years ago)
• Last Synced: 2024-07-08T12:48:06.206Z (3 months ago)
• Topics: molecular-dynamics-simulation, parallel-computing, taichi-framework
• Language: Python
• Homepage:
• Size: 4.74 MB
• Stars: 1
• Watchers: 1
• Forks: 1
• Open Issues: 0

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• awesome-taichi - Structure factor - Average structure factor calculation from pdb files; CPU-based parallelization using numba and cuda-acceleration by Taichi. (Applications / **Simulation**)
• awesome-taichi - Structure factor - Calculating average structure factor from pdb files; implementing CPU-based parallelization using numba and cuda-acceleration by Taichi. (**Simulation**)