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1 parent b65c3c5 commit a44c255Copy full SHA for a44c255
source/module_hamilt_lcao/module_deepks/deepks_pdm.cpp
@@ -121,7 +121,7 @@ void DeePKS_domain::update_dmr(const std::vector<ModuleBase::Vector3<double>>& k
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return; // to next loop
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}
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- hamilt::AtomPair dm_pair = dmr_deepks->get_atom_pair(ibt1, ibt2);
+ hamilt::AtomPair<double> dm_pair = dmr_deepks->get_atom_pair(ibt1, ibt2);
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int dRx = 0;
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int dRy = 0;
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