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Oct 29, 2025
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Review changes to phonons, expand TCF example, review reference to finite difference derivatives
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This page has diverged from the main branch - which is the most up-to-date version?
| .. autofunction:: tcf.tcf.autocorrelate | ||
| .. automodule:: tcf.tcf.autocorrelate | ||
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Explain the normalization in your example and add a function showing that the explicit calculation that goes as O(N^2) gives the same output
| \mathcal{F}\left[\dot{\boldsymbol{\mu}}\star\dot{\boldsymbol{\mu}}\right]\left(\omega\right) | ||
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| .. attention:: | ||
| Just for completeness, it is worth mentioning that this relation is valid only in the continuous case, while in the discrete case some care should be taken when evaluating the derivative of a function [2]_. |
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The reference talks about using FFT to evaluate finite difference derivatives, which is not your use case - I am not convinced this is relevant
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Corrected some typos and errors.
Added references.
Still missing: windowing, padding, practical code.