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