🚰 A tool to characterize the local structure of liquid water by geometric order parameters.
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Updated
Jul 31, 2024 - Python
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water-structure
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A fast, OpenMP parallelised C++ package that calculates the radial distribution of various local order parameters for water droplets from MD trajectories.
molecular-dynamics cpp11 computational-chemistry molecular-dynamics-simulation water computational-modeling water-structure order-parameters analysis-package
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Updated
Dec 31, 2021 - C++
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