-void nbnxn_atomdata_init(const gmx::MDLogger& mdlog,
- nbnxn_atomdata_t* nbat,
- const Nbnxm::KernelType kernelType,
- int enbnxninitcombrule,
- int ntype,
- ArrayRef<const real> nbfp,
- int n_energygroups,
- int nout)
+nbnxn_atomdata_t::nbnxn_atomdata_t(gmx::PinningPolicy pinningPolicy,
+ const gmx::MDLogger& mdlog,
+ const Nbnxm::KernelType kernelType,
+ int enbnxninitcombrule,
+ int ntype,
+ ArrayRef<const real> nbfp,
+ int n_energygroups,
+ int nout) :
+ params_(pinningPolicy),
+ numAtoms_(0),
+ natoms_local(0),
+ shift_vec({}, { pinningPolicy }),
+ x_({}, { pinningPolicy }),
+ simdMasks(),
+ bUseBufferFlags(FALSE)