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Merge branch 'devel' into feat/dos
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anyangml authored Mar 15, 2024
2 parents 5cc34df + da866a2 commit 60315ee
Showing 1 changed file with 0 additions and 1 deletion.
1 change: 0 additions & 1 deletion source/api_cc/src/DeepPotPT.cc
Original file line number Diff line number Diff line change
Expand Up @@ -116,7 +116,6 @@ void DeepPotPT::compute(ENERGYVTYPE& ener,
select_real_atoms_coord(dcoord, datype, aparam_, nghost_real, fwd_map,
bkw_map, nall_real, nloc_real, coord, atype, aparam,
nghost, ntypes, 1, daparam, nall, aparam_nall);
std::cout << datype.size() << std::endl;
std::vector<VALUETYPE> coord_wrapped = dcoord;
at::Tensor coord_wrapped_Tensor =
torch::from_blob(coord_wrapped.data(), {1, nall_real, 3}, options)
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