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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
donshen/structure_factor
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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
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