19PairStyle(hdnnp/develop,PairHDNNPDevelop)
23#ifndef LMP_PAIR_HDNNP_DEVELOP_H
24#define LMP_PAIR_HDNNP_DEVELOP_H
34 void compute(
int,
int)
override;
36 double init_one(
int i,
int j)
override;
double maxCutoffRadiusNeighborList
Keeps track of the maximum cutoff radius that was used for the neighbor list.
void updateNeighborlistCutoff()
Update neighborlist if maxCutoffRadiusNeighborList has changed.
void init_style() override
PairHDNNPDevelop(class LAMMPS *)
void compute(int, int) override
double init_one(int i, int j) override
void transferNeighborList()