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Generating unique displacements with EnumLibAdaptor #4008

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nhew1994 opened this issue Aug 20, 2024 · 0 comments
Open

Generating unique displacements with EnumLibAdaptor #4008

nhew1994 opened this issue Aug 20, 2024 · 0 comments
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enhancement A new feature or improvement to an existing one

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@nhew1994
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Feature Requested

From this paper (https://www.sciencedirect.com/science/article/pii/S0927025617302069?via%3Dihub), it looks like enumlib should be able to enumerate unique displacements as well. Can this be implemented in pymatgen?

Proposed Solution

Implement this feature in the class EnumlibAdaptor.

Relevant Information

https://www.sciencedirect.com/science/article/pii/S0927025617302069?via%3Dihub
@nhew1994 nhew1994 added the enhancement A new feature or improvement to an existing one label Aug 20, 2024
@github-actions github-actions bot mentioned this issue Sep 1, 2024
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@nhew1994