Specialized Template Function _DP_DeepPotComputeMixedType< double >

Function Documentation

template<>
inline void _DP_DeepPotComputeMixedType<double>(DP_DeepPot *dp, const int nframes, const int natom, const double *coord, const int *atype, const double *cell, const double *fparam, const double *aparam, double *energy, double *force, double *virial, double *atomic_energy, double *atomic_virial)