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remove commented codes
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Co-authored-by: Han Wang <[email protected]>
Signed-off-by: Jinzhe Zeng <[email protected]>
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njzjz and wanghan-iapcm authored Feb 28, 2024
1 parent 1e8bdff commit da18860
Showing 1 changed file with 0 additions and 40 deletions.
40 changes: 0 additions & 40 deletions source/api_cc/src/DeepPotPT.cc
Original file line number Diff line number Diff line change
Expand Up @@ -146,28 +146,6 @@ void DeepPotPT::compute(ENERGYVTYPE& ener,
cpu_atom_virial_.data_ptr<VALUETYPE>(),
cpu_atom_virial_.data_ptr<VALUETYPE>() + cpu_atom_virial_.numel());
}
// template void DeepPotPT::compute<double, ENERGYTYPE>(
// ENERGYTYPE& ener,
// std::vector<double>& force,
// std::vector<double>& virial,
// std::vector<double>& atom_energy,
// std::vector<double>& atom_virial,
// const std::vector<double>& coord,
// const std::vector<int>& atype,
// const std::vector<double>& box,
// const InputNlist& lmp_list,
// const int& ago);
// template void DeepPotPT::compute<float, ENERGYTYPE>(
// ENERGYTYPE& ener,
// std::vector<float>& force,
// std::vector<float>& virial,
// std::vector<float>& atom_energy,
// std::vector<float>& atom_virial,
// const std::vector<float>& coord,
// const std::vector<int>& atype,
// const std::vector<float>& box,
// const InputNlist& lmp_list,
// const int& ago);
template void DeepPotPT::compute<double, std::vector<ENERGYTYPE>>(
std::vector<ENERGYTYPE>& ener,
std::vector<double>& force,
Expand Down Expand Up @@ -267,24 +245,6 @@ void DeepPotPT::compute(ENERGYVTYPE& ener,
cpu_atom_virial_.data_ptr<VALUETYPE>() + cpu_atom_virial_.numel());
}

// template void DeepPotPT::compute<double, ENERGYTYPE>(
// ENERGYTYPE& ener,
// std::vector<double>& force,
// std::vector<double>& virial,
// std::vector<double>& atom_energy,
// std::vector<double>& atom_virial,
// const std::vector<double>& coord,
// const std::vector<int>& atype,
// const std::vector<double>& box);
// template void DeepPotPT::compute<float, ENERGYTYPE>(
// ENERGYTYPE& ener,
// std::vector<float>& force,
// std::vector<float>& virial,
// std::vector<float>& atom_energy,
// std::vector<float>& atom_virial,
// const std::vector<float>& coord,
// const std::vector<int>& atype,
// const std::vector<float>& box);
template void DeepPotPT::compute<double, std::vector<ENERGYTYPE>>(
std::vector<ENERGYTYPE>& ener,
std::vector<double>& force,
Expand Down

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