PySCF LCAO to spline converter NumPy 2 compatiblity#5364
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prckent
changed the title
ye-luo
approved these changes
Mar 6, 2025
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Test this please |
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Merging given Ye's approval |
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Proposed changes
Restores pyscf-diamond_1x1x1_pp_Bspline test chain to working.
Failures e.g. https://cdash.qmcpack.org/testSummary.php?project=1&name=pyscf-diamond_1x1x1_pp_Bspline&date=2025-03-06
What type(s) of changes does this code introduce?
Does this introduce a breaking change?
What systems has this change been tested on?
sulfur, nightly setup .
Checklist