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Commit 02af321

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abacus_fixer
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fix bug
1 parent 0e5750a commit 02af321

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source/source_esolver/esolver_ks_lcaopw.cpp

Lines changed: 5 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -227,8 +227,13 @@ namespace ModuleESolver
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#ifdef __LCAO
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if (PARAM.inp.out_mat_xc)
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{
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#ifdef __EXX
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bool cal_exx = GlobalC::exx_info.info_global.cal_exx;
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double hybrid_alpha = GlobalC::exx_info.info_global.hybrid_alpha;
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#else
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bool cal_exx = false;
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double hybrid_alpha = 0.0;
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#endif
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ModuleIO::write_Vxc(PARAM.inp.nspin,
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PARAM.globalv.nlocal,
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GlobalV::DRANK,

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