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Fix Hexagonal 2D path order #619

Merged
merged 4 commits into from
Feb 15, 2024
Merged

Fix Hexagonal 2D path order #619

merged 4 commits into from
Feb 15, 2024

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AndresOrtegaGuerrero
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The Hexagonal path should be
Gamma-M-K-Gamma,

This fixes the issue and also
M = 0.5 0.0 0.0

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codecov bot commented Feb 9, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Comparison is base (f951964) 75.82% compared to head (c95c350) 75.82%.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #619   +/-   ##
=======================================
  Coverage   75.82%   75.82%           
=======================================
  Files          60       60           
  Lines        4277     4277           
=======================================
  Hits         3243     3243           
  Misses       1034     1034           
Flag Coverage Δ
python-3.10 75.82% <ø> (ø)
python-3.8 75.85% <ø> (ø)
python-3.9 75.85% <ø> (ø)

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@superstar54 superstar54 left a comment

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@AndresOrtegaGuerrero, Can you add a reference (link or paper) to show where all these paths come from?
Can you also double-check the K?

@AndresOrtegaGuerrero
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@superstar54 the citation is already in the code , in line 107 of the same file , https://pubs.acs.org/doi/10.1021/acs.jpclett.2c02972

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LGTM. Thanks!

@AndresOrtegaGuerrero AndresOrtegaGuerrero merged commit 708fed5 into main Feb 15, 2024
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@AndresOrtegaGuerrero AndresOrtegaGuerrero deleted the fix/hexagonal_path branch February 15, 2024 14:03
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2 participants