LCAO GPU Optimization V1 reduce device pointer look up (OpenMP target map)#5342

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anbenali wants to merge 12 commits intoQMCPACK:developfrom anbenali:LCAO_Performance

+133-125

Commits on Feb 26, 2025

First set of optimizations allowing for a 2.5X speed up by avoiding unnecessary transfers due to map(to) instead of using is_device_ptr
anbenali
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Commits on Feb 28, 2025