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NLESC-JCER / QMCTorch

Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems
https://qmctorch.readthedocs.io/
Apache License 2.0
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FFT correlation coefficient #126

Closed matthijsdewit111 closed 3 years ago

matthijsdewit111 commented 3 years ago

Calculate the correlation coefficients using a Fast Fourier Transform (implemented by numpy) which is faster than summing directly.