Specialized Template Function _DP_DeepPotComputeNList< float >

• Defined in File deepmd.hpp

Function Documentation

template<>
inline void _DP_DeepPotComputeNList<float>(DP_DeepPot *dp, const int nframes, const int natom, const float *coord, const int *atype, const float *cell, const int nghost, const DP_Nlist *nlist, const int ago, const float *fparam, const float *aparam, double *energy, float *force, float *virial, float *atomic_energy, float *atomic_virial)