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Growth direction of zigzag heteroribbons #648

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Nov 22, 2023
Merged

Growth direction of zigzag heteroribbons #648

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2 changes: 2 additions & 0 deletions CHANGELOG.md
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Original file line number Diff line number Diff line change
Expand Up @@ -8,6 +8,8 @@ we hit release version 1.0.0.

## [0.14.4] - YYYY-MM-DD

### Fixed
- growth direction for zigzag heteroribbons


## [0.14.3] - 2023-11-07
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4 changes: 1 addition & 3 deletions src/sisl/geom/nanoribbon.py
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Expand Up @@ -237,10 +237,8 @@ class _heteroribbon_section(CompositeGeometrySection):
invert_first: bool = field(default=False, repr=False)

def __post_init__(self):
if self.kind == "armchair":
if self.kind in ("armchair", "zigzag"):
self.long_ax, self.trans_ax = 0, 1
elif self.kind == "zigzag":
self.long_ax, self.trans_ax = 1, 0
else:
raise ValueError("Unknown kind={kind}, must be one of zigzag or armchair")

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