Update deriv_atm_triple subroutine
#1298
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Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
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thfroitzheim
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Jun 8, 2025
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This patch speeds up
deriv_atm_triplefrom 360 CPU cycles to 160 CPU cycles on x86-64-v3 Arch with GCC 14.2. This routine takes about half of time for gradient evaluation for medium size molecules. Intel compiler is also affected with close impact.