[Code scan] Forward c in make_graphene_rect's reshape path

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#16 opened on Jun 30, 2026 0 comments 0 reactions 0 assignees View on GitHub

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Assessment

Difficulty: 1/5
Estimated time: Under an hour
Newbie friendliness: 88/100

Issue type: Bug
Clarity: Clearly specified
Activity status: Quiet
Tech stack: python
Domain: backend

Research direction

Read tbplas/materials/graphene.py around lines 68-71 and trace the reshape branch of make_graphene_rect. Verify that a non-default c value is passed through to the diamond-cell construction and that the resulting rectangular cell uses that value.

Written by the indexing model from the issue text.

Description

This issue comes from a Codex global scan of deepmodeling/tbplas at commit 4d3652b3dba8eb930e4869a6d41074f62d703692.

Severity: Medium

make_graphene_rect(from_scratch=False, c=...) rebuilds the rectangular cell by reshaping a diamond graphene cell, but it calls make_graphene_diamond(t=t) without forwarding c. Callers who request a non-default c-axis get a reshaped cell based on c=1.0 instead.

Code reference:
https://github.com/deepmodeling/tbplas/blob/4d3652b3dba8eb930e4869a6d41074f62d703692/tbplas/materials/graphene.py#L68-L71

Suggested fix: call make_graphene_diamond(c=c, t=t) in the reshape branch.

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Stars: 19
Forks: 6
PR merge metrics: No merged PRs in 30d

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