Avoid some heavy instructions in xtb/hamiltonian #1299
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Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
thfroitzheim
approved these changes
Jun 8, 2025
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This patch slightly speeds up evaluation of
build_SDQH0,build_dSDQH0,build_dSDQH0_noresetroutines by avoiding pow calls inshellPolyanddshellPolyroutines with GCC (Intel compilers use constant propagation here) and sometimes useless divisions inintgrad.f90.