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Swap decay factor#62

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Richard-Sti wants to merge 12 commits intocdcapano:masterfrom
Richard-Sti:swap_decay
Open

Swap decay factor#62
Richard-Sti wants to merge 12 commits intocdcapano:masterfrom
Richard-Sti:swap_decay

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@Richard-Sti
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Adding a (customisable) decay factor into the swap acceptance ratio, along with an option to turn off higher temperature chains.

@Richard-Sti Richard-Sti added enhancement New feature or request work in progress labels Apr 12, 2022
@Richard-Sti Richard-Sti requested a review from cdcapano April 12, 2022 13:53
@Richard-Sti Richard-Sti self-assigned this Apr 12, 2022
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pep8speaks commented Apr 12, 2022

Hello @Richard-Sti! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:

Line 583:80: E501 line too long (80 > 79 characters)
Line 706:1: E302 expected 2 blank lines, found 1
Line 793:30: E225 missing whitespace around operator
Line 796:5: E303 too many blank lines (2)
Line 798:56: W605 invalid escape sequence '\l'
Line 814:9: E265 block comment should start with '# '

Line 75:80: E501 line too long (80 > 79 characters)

Comment last updated at 2022-04-22 19:18:20 UTC

@Richard-Sti
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Richard-Sti commented Apr 13, 2022

In PTchain when storing the acceptance ratio -- store the penalised acceptance ratios? I think it's better to store the non-penalised acceptances ratios, otherwise it would conflict with the idea of the Vousden et al adaptive temperature annealing.

Otherwise, the PR is still missing a way to actually turn off the higher temperature chains, pytests and possibly rewritten ACL and GR calculations now that the temps do not have the same length.

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