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