-/*! \brief Initialize the non-bonded atom data structure.
- *
- * The enum for nbatXFormat is in the file defining nbnxn_atomdata_t.
- * Copy the ntypes*ntypes*2 sized nbfp non-bonded parameter list
- * to the atom data structure.
- * enbnxninitcombrule sets what combination rule data gets stored in nbat.
- */
-void nbnxn_atomdata_init(const gmx::MDLogger& mdlog,
- nbnxn_atomdata_t* nbat,
- Nbnxm::KernelType kernelType,
- int enbnxninitcombrule,
- int ntype,
- gmx::ArrayRef<const real> nbfp,
- int n_energygroups,
- int nout);
-