diff --git a/src/KIM/pair_kim.h b/src/KIM/pair_kim.h index 59f477b1e4..79b8c5d792 100644 --- a/src/KIM/pair_kim.h +++ b/src/KIM/pair_kim.h @@ -53,7 +53,7 @@ namespace LAMMPS_NS { virtual void unpack_reverse_comm(int, int*, double*); virtual double memory_usage(); - private: + protected: // (nearly) all bool flags are not initialized in constructor, but set // explicitly in the indicated function. All other data members are // initialized in constructor @@ -66,7 +66,7 @@ namespace LAMMPS_NS { // values set in coeff() // values set in allocate(), called by coeff() - void allocate(); + virtual void allocate(); int* lmps_map_species_to_unique; // values set in coeff(), after calling allocate() @@ -118,13 +118,13 @@ namespace LAMMPS_NS { // KIM specific helper functions virtual void set_contributing(); - void kim_init(); - void kim_free(); - void set_argument_pointers(); - void set_lmps_flags(); - void set_kim_model_has_flags(); + virtual void kim_init(); + virtual void kim_free(); + virtual void set_argument_pointers(); + virtual void set_lmps_flags(); + virtual void set_kim_model_has_flags(); // static methods used as callbacks from KIM - static int get_neigh( + static int get_neigh( void const * const dataObject, int const numberOfCutoffs, double const * const cutoffs, int const neighborListIndex, int const particleNumber,