GitHub - 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

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Name		Name	Last commit message	Last commit date
Latest commit History 13 Commits
test		test
RunSAXS.sh		RunSAXS.sh
SAXS_Aniso_fast.py		SAXS_Aniso_fast.py
SAXS_Aniso_taichi.py		SAXS_Aniso_taichi.py
SAXS_Avg.py		SAXS_Avg.py
requirements.txt		requirements.txt

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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

molecular-dynamics-simulation parallel-computing taichi-framework

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