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SQ method optimizations for walltime and memory - #275
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phanish-suryanarayana merged 1 commit intoOct 13, 2026
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SQ method optimizations for walltime and memory.
Implemented Laplacian using kronecker product, where the application of kronecker product is optimized for cache efficiency and JIT compilation. As well as some other optimizations in the sq.c code.
Also fixed couple bugs for spin calculation using sq, and obtaining atomic contribution in nonlocal pseudopotential at each grid point for mesh size differing in all three directions