Template Function deepmd::prod_force_a_cpu(FPTYPE *, const FPTYPE *, const FPTYPE *, const int *, const int, const int, const int, const int)
Defined in File prod_force.h
Function Documentation
- template<typename FPTYPE>
void deepmd::prod_force_a_cpu(FPTYPE *force, const FPTYPE *net_deriv, const FPTYPE *in_deriv, const int *nlist, const int nloc, const int nall, const int nnei, const int nframes) Produce force from net_deriv and in_deriv.
- Template Parameters
FPTYPE – float or double
- Parameters
force – [out] Atomic forces.
net_deriv – [in] Net derivative.
in_deriv – [in] Environmental derivative.
nlist – [in] Neighbor list.
nloc – [in] The number of local atoms.
nall – [in] The number of all atoms, including ghost atoms.
nnei – [in] The number of neighbors.
nframes – [in] The number of frames.