Program Listing for File pairwise.h

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// SPDX-License-Identifier: LGPL-3.0-or-later
#include <vector>

namespace deepmd {
void group_atoms_cpu(std::vector<std::vector<int>> &fragments,
                     const std::vector<int> &idxs);
void dprc_pairwise_map_cpu(std::vector<int> &forward_qm_map,
                           std::vector<int> &backward_qm_map,
                           std::vector<int> &forward_qmmm_map,
                           std::vector<int> &backward_qmmm_map,
                           int &nloc_qm,
                           int &nloc_qmmm,
                           int &nall_qm,
                           int &nall_qmmm,
                           const std::vector<std::vector<int>> &fragments,
                           const int nloc,
                           const int nall);
}  // namespace deepmd