Specialized Template Function _DP_DeepPotCompute< float >

Contents

Specialized Template Function _DP_DeepPotCompute< float >#

Defined in File deepmd.hpp

Function Documentation#

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