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Support for celldisp in neighbor list #8

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pastewka opened this issue Oct 9, 2017 · 1 comment
Open

Support for celldisp in neighbor list #8

pastewka opened this issue Oct 9, 2017 · 1 comment

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@pastewka
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pastewka commented Oct 9, 2017

ASE's atoms object has a new celldisp parameters that specifies the origin of the cell. The neighbor list will break is it is present and not (0,0,0).
@pastewka
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Apparently celldisp is not the origin of the cell but only used for visualization purposes. We should probably defer implementing this until a proper cell origin is implemented in ASE.

See: https://gitlab.com/ase/ase/issues/197

jameskermode pushed a commit that referenced this issue Jan 24, 2024
@thomas-rocke
Merge pull request #8 from thomas-rocke/DislocTestRefactoring
b01ded4 
ENH: Porting CCD & CCDD tests to TestCases
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@pastewka