Specialized Template Function _DP_DeepPotCompute< float >
Defined in File deepmd.hpp
Function Documentation
- template<>
inline void _DP_DeepPotCompute<float>(DP_DeepPot *dp, const int natom, const float *coord, const int *atype, const float *cell, double *energy, float *force, float *virial, float *atomic_energy, float *atomic_virial)