A batteries-included toolkit of analysis modules and helper functions for molecular dynamics (MD) simulations.
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Slightly reduce memory usage of IntermediateScatteringFunction
098475cView on GitHubMAJOR: Replaced FFT correlation with window shift in IntermediateScatteringFunction
586bf2fView on GitHubMAJOR: Refactored StructureFactor analysis class to use Numba-accelerated functions
0dfba28View on GitHubAdd experimental Numba-accelerated structure factor implementation
e908a00View on GitHub