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  • Anton Gorenko's avatar
    Optimize PME spread charge kernel (#4633) · 8ea42950
    Anton Gorenko authored
    * PME_ORDER threads process one atom;
    * PME_ORDER threads access consecutive addresses;
    * No need to permute z indices with zindexTable;
    * finishSpreadCharge is needed only with fixed point charge spreading;
    8ea42950
HipKernels.h 11.5 KB