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SELFIES for defects #72

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SergeiVKalinin opened this issue Nov 19, 2021 · 0 comments
Open

SELFIES for defects #72

SergeiVKalinin opened this issue Nov 19, 2021 · 0 comments
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enhancement New feature or request question Further information is requested

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@SergeiVKalinin
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Is it possible to extend selfies for description of defects in solids - somewhat like Kroeger-Vink type notation. May be it is just as simple as to use SELFIES code to define the part of ideal solid that is removed and give the selfie string for it, use SELFIES to describe the object that put in its place assuming that we know its bonding pattern, and somehow define the connections between them.

@MarioKrenn6240 MarioKrenn6240 added enhancement New feature or request question Further information is requested labels Nov 20, 2021
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