#include "gromacs/math/vectypes.h"
#include "gromacs/mdtypes/interaction_const.h"
#include "gromacs/mdtypes/md_enums.h"
+#include "gromacs/pbcutil/pbc.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/real.h"
struct interaction_const_t* ic = nullptr;
/* PBC stuff */
- int ePBC = 0;
+ PbcType pbcType = PbcType::Xyz;
//! Tells whether atoms inside a molecule can be in different periodic images,
// i.e. whether we need to take into account PBC when computing distances inside molecules.
// This determines whether PBC must be considered for e.g. bonded interactions.