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Fix(dft+u): stabilize occupation-matrix mixing and frozen potentials #1

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Fix(dft+u): stabilize occupation-matrix mixing and frozen potentials

Fix(dft+u): stabilize occupation-matrix mixing and frozen potentials #1

Run time

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Job Run time
Build extra components with Intel toolchain
12m 41s
Build without MPI
6m 45s
Build without LCAO and MPI
4m 12s
Build without ELPA
8m 20s
Build without LCAO
5m 36s
Build with CUDA support
13m 4s
Build extra components with GNU toolchain
19m 39s
Build with GNU toolchain
7m 54s
Build with Intel toolchain
8m 24s
1h 26m 35s