LongRangeVdW ljpme_combination_rule = LongRangeVdW::Geom;
/* PME/Ewald stuff */
- struct gmx_ewald_tab_t* ewald_table = nullptr;
+ std::unique_ptr<gmx_ewald_tab_t> ewald_table;
/* Non bonded Parameter lists */
int ntype = 0; /* Number of atom types */