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Implement NEq switching by transforming current NEq Cycling #65

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ijpulidos opened this issue Sep 4, 2024 · 0 comments
Open

Implement NEq switching by transforming current NEq Cycling #65

ijpulidos opened this issue Sep 4, 2024 · 0 comments
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enhancement New feature or request
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@ijpulidos
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There have been some interest in having a NonEquilibrium switching protocol based on what we currently have for the Cycling one. It shouldn't be that hard to re-use parts/units from the Cycling protocol and have some specific parts that would make it a Switching protocol. The main idea being that the resulting positions after each cycle would be the starting ones for the next one.

The main difference is that in Cycling you could run cycles in parallel, whereas for Switching they will be run in serial, but the sampling should be enhanced.

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