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Fix: Correct LCAO real-space wavefunctions and partial-charge handling #17524

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Fix: Correct LCAO real-space wavefunctions and partial-charge handling

Fix: Correct LCAO real-space wavefunctions and partial-charge handling #17524

Run time

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Job Run time
Build with CUDA support
13m 36s
Build without LCAO
4m 28s
Build extra components with GNU toolchain
18m 37s
Build with Intel toolchain
8m 52s
Build extra components with Intel toolchain
19m 24s
Build without ELPA
8m 4s
Build with GNU toolchain
8m 27s
Build without LCAO and MPI
4m 42s
Build without MPI
6m 37s
1h 32m 47s