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Head and wings corrections for k-dTDA #58

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@mkakcl mkakcl commented Apr 4, 2024

Implementation of the head and wings corrections for k-dTDA.

Due to a large number of PRs between when this was started and now this PR, have moved all commits relating to the HW corrections from a previous branch to a new branch from master.

@mkakcl mkakcl requested a review from obackhouse April 8, 2024 14:15
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some comments, haven't reviewed in full yet

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needs the moments functions to be reworked a bit to avoid interrupting original program flow and inheritance, and a few other minor changes

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"""
kpts = self.kpts
head = np.zeros((self.nkpts, self.nmom_max + 1), dtype=object)
HW_const = np.sqrt(4.0 * np.pi) / np.linalg.norm(self.q_abs[0])
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no caps in the variable name

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