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WIP: Disloc kink structure generation #244
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matscipy/dislocation.py
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@@ -2607,6 +2609,8 @@ def _build_bulk_cyl(self, radius, core_positions, fix_rad, extension, | |||
Will add a fictitious core at position | |||
core_positions[i, :] + extension[i, :], for the | |||
purposes of adding extra atoms | |||
cyl_mask: array of bool | |||
Optional ovverride for atomic mask to convert supercell into cyl |
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expand docs on reference frame
…into DislocKink
Hi @thomas-rocke, really fantastic work. Tutorial on dislocation glide was for long time on my to do list, so I am very happy you did it. Visualisation of kink looks amazing. Also kink glide methods look very useful, can help me with few annoying things. Well done! |
Tools for building kink structures both in cylinder configs, and in dislocation quadrupoles.
Planned Features:
Possible extra features: