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dyzheng
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re-push an unadded modification
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source/module_psi/psi_initializer_nao.cpp

Lines changed: 3 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -167,7 +167,9 @@ void psi_initializer_nao<T>::initialize(const Structure_Factor* sf,
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// allocate
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this->allocate_ao_table();
170-
this->read_external_orbs(this->p_ucell_->orbital_fn.data(), rank);
170+
std::string hn_tmp = this->p_ucell_->orbital_fn->data();
171+
this->read_external_orbs(this->p_ucell_->orbital_fn, rank);
172+
//this->read_external_orbs(this->p_ucell_->orbital_fn->data(), rank);
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// then for generate random number to fill in the wavefunction
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this->ixy2is_.clear();

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