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changing the labels of periodicity widget #933

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merged 11 commits into from
Nov 28, 2024

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AndresOrtegaGuerrero
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This PR changes the labels of the periodicity options widget as the following

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codecov bot commented Nov 20, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 67.85%. Comparing base (55b97a2) to head (bc23f89).
Report is 1 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #933   +/-   ##
=======================================
  Coverage   67.85%   67.85%           
=======================================
  Files         110      110           
  Lines        6206     6206           
=======================================
  Hits         4211     4211           
  Misses       1995     1995           
Flag Coverage Δ
python-3.11 67.85% <ø> (ø)
python-3.9 67.87% <ø> (+0.01%) ⬆️

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@cpignedoli
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We suggest the following labels:
3D (bulk)
2D (surfaces, slabs, ...) [NOTE: the non-periodic direction must be the third lattice vector, AND be along z]
1D (wires) [NOTE: the periodic direction must be the first lattice vector, AND be along x]
0D (molecules)

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Hi @AndresOrtegaGuerrero , were there follow up discussions to move slightly away from
#933 ?
otherwise I would stick to what was decided there if space allows

@AndresOrtegaGuerrero
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image

@cpignedoli
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I would keep (surfaces, slabs, ...) to leave it open to other cases we do not mention.

@AndresOrtegaGuerrero
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image

@cpignedoli
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OK from my side. Automatic detection of periodicity using the function suggested by @giovannipizzi (P1 https://github.com/orgs/aiidalab/projects/17/views/1?pane=issue&itemId=88010088) will follow as a separate PR

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I would add NOTE: in bold before the bullet points

@AndresOrtegaGuerrero
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image

@AndresOrtegaGuerrero
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@cpignedoli @giovannipizzi Like this figure above is correct ?

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AndresOrtegaGuerrero commented Nov 28, 2024

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Reflects what we discussed so far.

@AndresOrtegaGuerrero AndresOrtegaGuerrero merged commit 59589a8 into main Nov 28, 2024
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@AndresOrtegaGuerrero AndresOrtegaGuerrero deleted the rename_labels_periodicity_widget branch November 28, 2024 11:58
@giovannipizzi
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Just to be sure, both requirements are needed (both being the 3rd lattice vector, and being along z), right?

OK to keep as it is and if people complain, we make it even clearer

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3 participants