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after adding virial calculation, the performance decreases ~15% in some cases. Maybe it is better to control the virial calculation, by adding calc_force_virial, calc_force_energy_virial, calc_force.
The implementation should be shared among those, by adding some template parameter to use constexpr if, as suggested in #291 .
The text was updated successfully, but these errors were encountered:
after adding virial calculation, the performance decreases ~15% in some cases. Maybe it is better to control the virial calculation, by adding
calc_force_virial
,calc_force_energy_virial
,calc_force
.The implementation should be shared among those, by adding some template parameter to use
constexpr if
, as suggested in #291 .The text was updated successfully, but these errors were encountered: