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Commit 9e2f3d5

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author
abacus_fixer
committed
fix bug
1 parent a559d30 commit 9e2f3d5

1 file changed

Lines changed: 7 additions & 5 deletions

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source/source_lcao/module_dftu/dftu_lcao_occ.cpp

Lines changed: 7 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -428,11 +428,13 @@ void DFTU_LCAO::cal_occ_mat_gamma(const Parallel_Orbitals* pv,
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for (int it = 0; it < ucell.ntype; it++)
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{
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const int NL = ucell.atoms[it].nwl + 1;
431-
if (!orbital_corr[it] != -1)
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{
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continue;
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}
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for (int ia = 0; ia < ucell.atoms[it].na; ia++)
431+
const int LC = orbital_corr[it];
432+
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if (LC == -1)
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{
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continue;
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}
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for (int ia = 0; ia < ucell.atoms[it].na; ia++)
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{
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const int iat = ucell.itia2iat(it, ia);
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