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Huge reconstruction #7

Merged
merged 12 commits into from
Sep 22, 2023
Merged

Huge reconstruction #7

merged 12 commits into from
Sep 22, 2023

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zhanglw0521
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@zhanglw0521 zhanglw0521 commented Sep 13, 2023

This PR provides a huge reconstruction of this package.

In this version, the codes generate a chain that constructs an or all equivariant basi(e)s from a given list of AA specifications (no matter whether complete or not - it will be auto-completed before symmetrization).
In particular, the chain is divided into two parts: (1) x -> A -> AA; (2) AA -> B_L or [B_i]_{i=0}^L - i.e. a symmetrization layer

Other options for inputs are (1) total degree and correlation order $\nu$; (2) a pair of n_list and l_list.

Those codes for SYYVector were also updated and kept just in case it is usable at some point.

@cortner
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cortner commented Sep 15, 2023

thank you, Liwei, I hope to get to this asap.

NOTE: To make our current tests more rigorous, I hiked some functions in ACE.Wigner
make one `ll` global during a loop
@cortner cortner merged commit 1e3e44d into main Sep 22, 2023
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@cortner cortner deleted the Huge_Reconstruction branch September 22, 2023 17:14
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2 participants