Program Listing for File prod_force.h

Return to documentation for file (source/lib/include/prod_force.h)

// SPDX-License-Identifier: LGPL-3.0-or-later
#pragma once

namespace deepmd {

template <typename FPTYPE>
void 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);

template <typename FPTYPE>
void 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,
                      const int thread_nloc,
                      const int thread_start_index);

template <typename FPTYPE>
void prod_force_r_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);

#if GOOGLE_CUDA || TENSORFLOW_USE_ROCM
template <typename FPTYPE>
void prod_force_a_gpu(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);

template <typename FPTYPE>
void prod_force_r_gpu(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);
#endif  // GOOGLE_CUDA || TENSORFLOW_USE_ROCM

}  // namespace deepmd