inputRec.nkz = gridSize[ZZ];
inputRec.coulombtype = (moduliType == ModuliType::P3M) ? CoulombInteractionType::P3mAD
: CoulombInteractionType::Pme;
- inputRec.pme_order = pmeOrder;
+ inputRec.pme_order = pmeOrder;
/* PME initialization call which checks the inputs and computes the B-spline moduli according to the grid sizes. */
PmeSafePointer pme = pmeInitEmpty(&inputRec);