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[pre-commit.ci lite] apply automatic fixes
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pre-commit-ci-lite[bot] authored Oct 13, 2024
1 parent 98cdfff commit a12ccf8
Showing 1 changed file with 4 additions and 2 deletions.
6 changes: 4 additions & 2 deletions source/module_lr/dm_trans/dmr_complex.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -42,7 +42,7 @@ namespace elecstate
}
#endif
// loop over k-points
if (PARAM.inp.nspin != 4)
if (PARAM.inp.nspin != 4) {
for (int ik = 0; ik < this->_nk; ++ik)
{
// cal k_phase
Expand Down Expand Up @@ -70,9 +70,11 @@ namespace elecstate
tmp_DMR_pointer += this->_paraV->get_col_size(iat2);
}
}
}
// treat DMR as pauli matrix when NSPIN=4
if (PARAM.inp.nspin == 4)
if (PARAM.inp.nspin == 4) {
throw std::runtime_error("complex DM(R) with NSPIN=4 is not implemented yet");
}
}
}
}
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