Add sanity check for number of primitives#176
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susilehtola wants to merge 3 commits intowavefunction91:masterfrom
Open
Add sanity check for number of primitives#176susilehtola wants to merge 3 commits intowavefunction91:masterfrom
susilehtola wants to merge 3 commits intowavefunction91:masterfrom
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wavefunction91
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Feb 6, 2026
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wavefunction91
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Good call. Minor comment
wavefunction91
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Feb 9, 2026
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There's no check in GauXC on the maximum allowed number of primitives. I think any faulty code might error out even earlier due to overflows in the passed-in arrays, but this check will at least crash the code after the memory violation has occurred instead of producing faulty results.