Specialized Template Function _DP_DeepSpinCompute< float >#
Defined in File deepmd.hpp
Function Documentation#
- template<>
inline void _DP_DeepSpinCompute<float>(DP_DeepSpin *dp, const int nframes, const int natom, const float *coord, const float *spin, const int *atype, const float *cell, const float *fparam, const float *aparam, double *energy, float *force, float *force_mag, float *virial, float *atomic_energy, float *atomic_virial)#