Nexus: Fix Structure.recenter_k() and Structure.recenter()#5664
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prckent merged 12 commits intoQMCPACK:developfrom Jan 26, 2026
Merged
Nexus: Fix Structure.recenter_k() and Structure.recenter()#5664prckent merged 12 commits intoQMCPACK:developfrom
Structure.recenter_k() and Structure.recenter()#5664prckent merged 12 commits intoQMCPACK:developfrom
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jtkrogel
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Nov 12, 2025
jtkrogel
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Nov 12, 2025
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Happy to see this discussion going on here. Once you have them working as expected, please can you add a description of what at least recorner and recenter_k actually do. Of the 3 functions under discussion, only what recenter does is "obvious". |
…rner` This also fixes the tests to use the correct geometries.
jtkrogel
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Nov 17, 2025
brockdyer03
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Structure.recenter_k() and Structure.recenter()Structure.recenter_k() and Structure.recenter()
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What is the status of this PR? I would like to get the macos numpy version unpinned. |
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jtkrogel
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Jan 20, 2026
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One small change. Looks good otherwise.
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Test this please |
prckent
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Structure.recenter_k() and Structure.recenter()Structure.recenter_k() and Structure.recenter()
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Proposed changes
Alternate form of #5345 after discussion with @jtkrogel.
What type(s) of changes does this code introduce?
Does this introduce a breaking change?
What systems has this change been tested on?
Ubuntu 22.04 Python 3.13.8 NumPy 2.3.4
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